2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline

C331H200N16OS — CID 157497983

IUPAC2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline
SMILESCC1(C)c2ccc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc2-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)ccc21.c1ccc2c(c1)c(-n1c3ccccc3c3ccccc31)cc1ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc(-c6ccc7c(ccc8ccc9ccccc9c87)c6)nc5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc6ccc(-c7ccc8c(ccc9ccc%10ccccc%10c98)c7)nc6c5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4nnc(-c5ccc6c(ccc7ccc8ccccc8c76)c5)o4)ccc3c12.c1ccc2c(c1)ccc1ccc3ccc(-c4nnc(-c5ccc6ccc7ccc8ccccc8c7c6c5)s4)cc3c12.c1ccc2nc(-c3ccc4c(ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c54)c3)ccc2c1.c1ccc2nc(-c3ccc4ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c5c4c3)ccc2c1
InChIInChI=1S/C49H32N2.C48H28N2.C44H26N2.C42H26N2.C38H22N2O.C38H22N2S.2C36H22N2/c1-49(2)41-23-25-43(35-19-21-39-33(27-35)17-15-31-13-11-29-7-3-5-9-37(29)45(31)39)50-47(41)48-42(49)24-26-44(51-48)36-20-22-40-34(28-36)18-16-32-14-12-30-8-4-6-10-38(30)46(32)40;1-3-7-39-29(5-1)9-11-31-13-17-35-27-37(19-23-41(35)45(31)39)43-25-21-33-15-16-34-22-26-44(50-48(34)47(33)49-43)38-20-24-42-36(28-38)18-14-32-12-10-30-6-2-4-8-40(30)46(32)42;1-3-7-36-27(5-1)9-11-29-13-15-32-25-34(17-21-38(32)42(29)36)40-23-19-31-20-24-41(46-44(31)45-40)35-18-22-39-33(26-35)16-14-30-12-10-28-6-2-4-8-37(28)43(30)39;1-2-16-36-35(15-1)41(44-39-19-9-5-13-33(39)34-14-6-10-20-40(34)44)26-28-22-21-27-25-29(23-24-30(27)42(28)36)43-37-17-7-3-11-31(37)32-12-4-8-18-38(32)43;1-3-7-31-23(5-1)9-11-25-13-15-27-21-29(17-19-33(27)35(25)31)37-39-40-38(41-37)30-18-20-34-28(22-30)16-14-26-12-10-24-6-2-4-8-32(24)36(26)34;1-3-7-31-23(5-1)9-15-27-17-11-25-13-19-29(21-33(25)35(27)31)37-39-40-38(41-37)30-20-14-26-12-18-28-16-10-24-6-2-4-8-32(24)36(28)34(26)22-30;1-5-11-32-24(7-1)17-19-34(37-32)26-15-13-23-14-16-27-22-31(35-20-18-25-8-2-6-12-33(25)38-35)28-9-3-4-10-29(28)36(27)30(23)21-26;1-5-11-32-23(7-1)16-19-34(37-32)26-15-18-28-25(21-26)13-14-27-22-31(29-9-3-4-10-30(29)36(27)28)35-20-17-24-8-2-6-12-33(24)38-35/h3-28H,1-2H3;1-28H;1-26H;1-26H;2*1-22H;2*1-22H
InChIKeyBYBDZDFSCSSDIA-UHFFFAOYSA-N
MW4449.42 g/mol
LogP89.56
Rot. Bonds16

About 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline

2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline (PubChem CID 157497983) has the molecular formula C331H200N16OS and a molecular weight of 4449.42 g/mol. Its IUPAC name is 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline.

Molecular Properties

Compound Name2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline
PubChem CID157497983
Molecular FormulaC331H200N16OS
Molecular Weight4449.42 g/mol
Exact Mass4445.58
IUPAC Name2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline
SMILESCC1(C)c2ccc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc2-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)ccc21.c1ccc2c(c1)c(-n1c3ccccc3c3ccccc31)cc1ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc(-c6ccc7c(ccc8ccc9ccccc9c87)c6)nc5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc6ccc(-c7ccc8c(ccc9ccc%10ccccc%10c98)c7)nc6c5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4nnc(-c5ccc6c(ccc7ccc8ccccc8c76)c5)o4)ccc3c12.c1ccc2c(c1)ccc1ccc3ccc(-c4nnc(-c5ccc6ccc7ccc8ccccc8c7c6c5)s4)cc3c12.c1ccc2nc(-c3ccc4c(ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c54)c3)ccc2c1.c1ccc2nc(-c3ccc4ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c5c4c3)ccc2c1
InChIInChI=1S/C49H32N2.C48H28N2.C44H26N2.C42H26N2.C38H22N2O.C38H22N2S.2C36H22N2/c1-49(2)41-23-25-43(35-19-21-39-33(27-35)17-15-31-13-11-29-7-3-5-9-37(29)45(31)39)50-47(41)48-42(49)24-26-44(51-48)36-20-22-40-34(28-36)18-16-32-14-12-30-8-4-6-10-38(30)46(32)40;1-3-7-39-29(5-1)9-11-31-13-17-35-27-37(19-23-41(35)45(31)39)43-25-21-33-15-16-34-22-26-44(50-48(34)47(33)49-43)38-20-24-42-36(28-38)18-14-32-12-10-30-6-2-4-8-40(30)46(32)42;1-3-7-36-27(5-1)9-11-29-13-15-32-25-34(17-21-38(32)42(29)36)40-23-19-31-20-24-41(46-44(31)45-40)35-18-22-39-33(26-35)16-14-30-12-10-28-6-2-4-8-37(28)43(30)39;1-2-16-36-35(15-1)41(44-39-19-9-5-13-33(39)34-14-6-10-20-40(34)44)26-28-22-21-27-25-29(23-24-30(27)42(28)36)43-37-17-7-3-11-31(37)32-12-4-8-18-38(32)43;1-3-7-31-23(5-1)9-11-25-13-15-27-21-29(17-19-33(27)35(25)31)37-39-40-38(41-37)30-18-20-34-28(22-30)16-14-26-12-10-24-6-2-4-8-32(24)36(26)34;1-3-7-31-23(5-1)9-15-27-17-11-25-13-19-29(21-33(25)35(27)31)37-39-40-38(41-37)30-20-14-26-12-18-28-16-10-24-6-2-4-8-32(24)36(28)34(26)22-30;1-5-11-32-24(7-1)17-19-34(37-32)26-15-13-23-14-16-27-22-31(35-20-18-25-8-2-6-12-33(25)38-35)28-9-3-4-10-29(28)36(27)30(23)21-26;1-5-11-32-23(7-1)16-19-34(37-32)26-15-18-28-25(21-26)13-14-27-22-31(29-9-3-4-10-30(29)36(27)28)35-20-17-24-8-2-6-12-33(24)38-35/h3-28H,1-2H3;1-28H;1-26H;1-26H;2*1-22H;2*1-22H
InChIKeyBYBDZDFSCSSDIA-UHFFFAOYSA-N
XLogP89.56
TPSA203.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004449.42
LogP ≤ 589.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158870538
CID 158870538
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 160311315
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;7-hexyl-2-(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 161579753
2-[2-Methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole
CID 57983863
2,5-bis[4-(10-phenylphenazin-5-yl)phenyl]-1,3,4-oxadiazole;N,N-diphenyl-9-[4-[4-phenyl-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,2,4-triazol-3-yl]phenyl]carbazol-3-amine;5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine;2-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,3,4-oxadiazole;2-phenyl-5-[4-(10-phenylphenazin-5-yl)phenyl]-1,3,4-thiadiazole
CID 157093568
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
CID 157122840
2-(4-Tert-butylphenyl)-5-[9,9-diphenyl-7-(3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinolin-2-yl)fluoren-2-yl]-1,3,4-oxadiazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-(9,9-diphenyl-7-pyridin-3-ylfluoren-2-yl)-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline
CID 157164567
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 157165610
2,5-Bis[9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole;2,5-bis[9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazol-2-yl]-1,3,4-oxadiazole
CID 157169559
2-(4-Carbazol-9-ylphenyl)-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;2-dibenzothiophen-3-yl-12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;12,12-dimethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-11-phenylindeno[2,1-a]carbazole;12,12-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-11-(4-phenylphenyl)indeno[2,1-a]carbazole;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)-5-phenyl-1,3,4-oxadiazole;12,12-dimethyl-11-phenyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 157320218
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[3-[5-[4-(2-methylpropyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;3-[4-(2-methylpropyl)phenyl]-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 157530137

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline?
The IUPAC name of 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline (CID 157497983) is 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline.
What is the SMILES notation for 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline?
The canonical SMILES for 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline is CC1(C)c2ccc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc2-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)ccc21.c1ccc2c(c1)c(-n1c3ccccc3c3ccccc31)cc1ccc3cc(-n4c5ccccc5c5ccccc54)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc(-c6ccc7c(ccc8ccc9ccccc9c87)c6)nc5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4ccc5ccc6ccc(-c7ccc8c(ccc9ccc%10ccccc%10c98)c7)nc6c5n4)ccc3c12.c1ccc2c(c1)ccc1ccc3cc(-c4nnc(-c5ccc6c(ccc7ccc8ccccc8c76)c5)o4)ccc3c12.c1ccc2c(c1)ccc1ccc3ccc(-c4nnc(-c5ccc6ccc7ccc8ccccc8c7c6c5)s4)cc3c12.c1ccc2nc(-c3ccc4c(ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c54)c3)ccc2c1.c1ccc2nc(-c3ccc4ccc5cc(-c6ccc7ccccc7n6)c6ccccc6c5c4c3)ccc2c1.
What is the InChIKey of 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline?
The InChIKey is BYBDZDFSCSSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2.C48H28N2.C44H26N2.C42H26N2.C38H22N2O.C38H22N2S.2C36H22N2/c1-49(2)41-23-25-43(35-19-21-39-33(27-35)17-15-31-13-11-29-7-3-5-9-37(29)45(31)39)50-47(41)48-42(49)24-26-44(51-48)36-20-22-40-34(28-36)18-16-32-14-12-30-8-4-6-10-38(30)46(32)40;1-3-7-39-29(5-1)9-11-31-13-17-35-27-37(19-23-41(35)45(31)39)43-25-21-33-15-16-34-22-26-44(50-48(34)47(33)49-43)38-20-24-42-36(28-38)18-14-32-12-10-30-6-2-4-8-40(30)46(32)42;1-3-7-36-27(5-1)9-11-29-13-15-32-25-34(17-21-38(32)42(29)36)40-23-19-31-20-24-41(46-44(31)45-40)35-18-22-39-33(26-35)16-14-30-12-10-28-6-2-4-8-37(28)43(30)39;1-2-16-36-35(15-1)41(44-39-19-9-5-13-33(39)34-14-6-10-20-40(34)44)26-28-22-21-27-25-29(23-24-30(27)42(28)36)43-37-17-7-3-11-31(37)32-12-4-8-18-38(32)43;1-3-7-31-23(5-1)9-11-25-13-15-27-21-29(17-19-33(27)35(25)31)37-39-40-38(41-37)30-18-20-34-28(22-30)16-14-26-12-10-24-6-2-4-8-32(24)36(26)34;1-3-7-31-23(5-1)9-15-27-17-11-25-13-19-29(21-33(25)35(27)31)37-39-40-38(41-37)30-20-14-26-12-18-28-16-10-24-6-2-4-8-32(24)36(28)34(26)22-30;1-5-11-32-24(7-1)17-19-34(37-32)26-15-13-23-14-16-27-22-31(35-20-18-25-8-2-6-12-33(25)38-35)28-9-3-4-10-29(28)36(27)30(23)21-26;1-5-11-32-23(7-1)16-19-34(37-32)26-15-18-28-25(21-26)13-14-27-22-31(29-9-3-4-10-30(29)36(27)28)35-20-17-24-8-2-6-12-33(24)38-35/h3-28H,1-2H3;1-28H;1-26H;1-26H;2*1-22H;2*1-22H.
What are the key properties of 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline?
2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline has a molecular weight of 4449.42 g/mol, XLogP of 89.56, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(benzo[c]phenanthren-2-yl)-1,3,4-thiadiazole;4,12-bis(benzo[g]phenanthren-3-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,7-bis(benzo[g]phenanthren-3-yl)-1,8-naphthyridine;2,5-bis(benzo[g]phenanthren-3-yl)-1,3,4-oxadiazole;2,9-bis(benzo[g]phenanthren-3-yl)-1,10-phenanthroline;9-(3-carbazol-9-ylbenzo[c]phenanthren-8-yl)carbazole;2-(2-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline;2-(3-quinolin-2-ylbenzo[c]phenanthren-8-yl)quinoline is sourced from PubChem (CID 157497983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).