12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

C140H84N10O2S — CID 160712505

IUPAC12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ncc8ccccc8c7oc6c54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2-4)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5cccc(-c6nc(-c7cccc8ccccc78)c7sc8ccccc8c7n6)c5oc4c32)cc1
InChIInChI=1S/C49H31N3.C48H27N3OS.C43H26N4O/c1-4-17-33(18-5-1)47-48(51-43-26-14-13-25-42(43)50-47)52-44-27-15-12-24-37(44)38-30-39-41(31-45(38)52)49(34-19-6-2-7-20-34,35-21-8-3-9-22-35)40-29-28-32-16-10-11-23-36(32)46(39)40;1-2-16-29(17-3-1)51-38-26-10-8-21-34(38)40-31-19-6-7-20-32(31)41-36-24-13-25-37(45(36)52-46(41)44(40)51)48-49-42(33-23-12-15-28-14-4-5-18-30(28)33)47-43(50-48)35-22-9-11-27-39(35)53-47;1-3-12-27(13-4-1)36-25-37(28-14-5-2-6-15-28)46-43(45-36)29-17-11-18-31(24-29)47-38-21-10-9-20-33(38)34-22-23-35-39-41(48-42(35)40(34)47)32-19-8-7-16-30(32)26-44-39/h1-31H;1-27H;1-26H
InChIKeyRSATXYBFJYDXLI-UHFFFAOYSA-N
MW1970.35 g/mol
LogP36.41
Rot. Bonds11

About 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (PubChem CID 160712505) has the molecular formula C140H84N10O2S and a molecular weight of 1970.35 g/mol. Its IUPAC name is 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
PubChem CID160712505
Molecular FormulaC140H84N10O2S
Molecular Weight1970.35 g/mol
Exact Mass1968.65
IUPAC Name12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ncc8ccccc8c7oc6c54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2-4)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5cccc(-c6nc(-c7cccc8ccccc78)c7sc8ccccc8c7n6)c5oc4c32)cc1
InChIInChI=1S/C49H31N3.C48H27N3OS.C43H26N4O/c1-4-17-33(18-5-1)47-48(51-43-26-14-13-25-42(43)50-47)52-44-27-15-12-24-37(44)38-30-39-41(31-45(38)52)49(34-19-6-2-7-20-34,35-21-8-3-9-22-35)40-29-28-32-16-10-11-23-36(32)46(39)40;1-2-16-29(17-3-1)51-38-26-10-8-21-34(38)40-31-19-6-7-20-32(31)41-36-24-13-25-37(45(36)52-46(41)44(40)51)48-49-42(33-23-12-15-28-14-4-5-18-30(28)33)47-43(50-48)35-22-9-11-27-39(35)53-47;1-3-12-27(13-4-1)36-25-37(28-14-5-2-6-15-28)46-43(45-36)29-17-11-18-31(24-29)47-38-21-10-9-20-33(38)34-22-23-35-39-41(48-42(35)40(34)47)32-19-8-7-16-30(32)26-44-39/h1-31H;1-27H;1-26H
InChIKeyRSATXYBFJYDXLI-UHFFFAOYSA-N
XLogP36.41
TPSA131.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001970.35
LogP ≤ 536.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
CID 158817711
CID 158817711
9-[1-Carbazol-9-yl-3-[5-(4-ethynylphenyl)pyrimidin-2-yl]-4-phenyldibenzofuran-2-yl]carbazole;9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
CID 159483782
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160533362
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160542497
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160830901
CID 161364197
CID 161364197
CID 161548407
CID 161548407
2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
2-Phenyl-4-(3-thia-12,15,24-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaen-15-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118506487

Frequently Asked Questions

What is the IUPAC name of 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (CID 160712505) is 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ncc8ccccc8c7oc6c54)c3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C(c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2-4)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5cccc(-c6nc(-c7cccc8ccccc78)c7sc8ccccc8c7n6)c5oc4c32)cc1.
What is the InChIKey of 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The InChIKey is RSATXYBFJYDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C48H27N3OS.C43H26N4O/c1-4-17-33(18-5-1)47-48(51-43-26-14-13-25-42(43)50-47)52-44-27-15-12-24-37(44)38-30-39-41(31-45(38)52)49(34-19-6-2-7-20-34,35-21-8-3-9-22-35)40-29-28-32-16-10-11-23-36(32)46(39)40;1-2-16-29(17-3-1)51-38-26-10-8-21-34(38)40-31-19-6-7-20-32(31)41-36-24-13-25-37(45(36)52-46(41)44(40)51)48-49-42(33-23-12-15-28-14-4-5-18-30(28)33)47-43(50-48)35-22-9-11-27-39(35)53-47;1-3-12-27(13-4-1)36-25-37(28-14-5-2-6-15-28)46-43(45-36)29-17-11-18-31(24-29)47-38-21-10-9-20-33(38)34-22-23-35-39-41(48-42(35)40(34)47)32-19-8-7-16-30(32)26-44-39/h1-31H;1-27H;1-26H.
What are the key properties of 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene has a molecular weight of 1970.35 g/mol, XLogP of 36.41, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-24-oxa-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;5-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-phenyl-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160712505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).