4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C171H104N22OS — CID 158586544

IUPAC4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(n6)c6ncccc6n7-c6ccccc6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N8.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)51-36-58(66-61(65-51)40-17-6-2-7-18-40)69-53-24-13-11-22-47(53)49-35-42(27-30-55(49)69)41-26-29-54-48(34-41)46-21-10-12-23-52(46)68(54)45-33-43(37-62-38-45)50-28-31-57-60(64-50)59-56(25-14-32-63-59)67(57)44-19-8-3-9-20-44;2*1-3-12-34(13-4-1)45-31-52(60-55(59-45)35-14-5-2-6-15-35)62-47-19-10-8-17-41(47)43-30-37(22-25-49(43)62)36-21-24-48-42(29-36)40-16-7-9-18-46(40)61(48)39-28-38(32-56-33-39)44-23-26-51-54(58-44)53-50(63-51)20-11-27-57-53/h1-38H;2*1-33H
InChIKeyHTWYZDMLLWMMGK-UHFFFAOYSA-N
MW2514.93 g/mol
LogP41.94
Rot. Bonds19

About 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 158586544) has the molecular formula C171H104N22OS and a molecular weight of 2514.93 g/mol. Its IUPAC name is 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID158586544
Molecular FormulaC171H104N22OS
Molecular Weight2514.93 g/mol
Exact Mass2512.85
IUPAC Name4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(n6)c6ncccc6n7-c6ccccc6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N8.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)51-36-58(66-61(65-51)40-17-6-2-7-18-40)69-53-24-13-11-22-47(53)49-35-42(27-30-55(49)69)41-26-29-54-48(34-41)46-21-10-12-23-52(46)68(54)45-33-43(37-62-38-45)50-28-31-57-60(64-50)59-56(25-14-32-63-59)67(57)44-19-8-3-9-20-44;2*1-3-12-34(13-4-1)45-31-52(60-55(59-45)35-14-5-2-6-15-35)62-47-19-10-8-17-41(47)43-30-37(22-25-49(43)62)36-21-24-48-42(29-36)40-16-7-9-18-46(40)61(48)39-28-38(32-56-33-39)44-23-26-51-54(58-44)53-50(63-51)20-11-27-57-53/h1-38H;2*1-33H
InChIKeyHTWYZDMLLWMMGK-UHFFFAOYSA-N
XLogP41.94
TPSA241.00 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002514.93
LogP ≤ 541.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

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
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-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]-2,4-dimethylpyridin-3-amine;2-(2,6-dimethylphenyl)-7-[3-[3-[2-(2,6-dimethylphenyl)thieno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]thieno[2,3-c]pyridine;tris(platinum(2+))
CID 158307997
6-Tert-butyl-3-(4-methylthiophen-3-yl)-5-phenylimidazo[4,5-b]pyridine;3-(4,5-dimethylfuran-3-yl)imidazo[4,5-b]pyridine;3-(3,4-dimethylphenyl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine;2,6-di(propan-2-yl)-3-thiophen-3-ylimidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-(5-methylthiophen-3-yl)imidazo[4,5-b]pyridine;3-(furan-3-yl)-2,6-dimethylimidazo[4,5-b]pyridine;3-(furan-3-yl)-2,6-di(propan-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine;3-(4-methylphenyl)-2-phenyl-7-(trifluoromethyl)imidazo[4,5-c]isoquinoline
CID 159358416
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-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]-2,4-dimethylpyridin-3-amine;2-(2,6-dimethylphenyl)-7-[3-[3-[2-(2,6-dimethylphenyl)thieno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]thieno[2,3-c]pyridine;N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;tetrakis(platinum(2+))
CID 161803877
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
4,6,10,12-Tetrakis(5-phenylpyrido[4,3-b]indol-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58059088
6,10-Bis(5-phenylpyrido[4,3-b]indol-8-yl)-4,12-bis[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099557
10-[9-[8-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 58099588
6-[9-[8-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099626
2-[3-(Cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;6-(3-methyl-5-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
CID 69553713

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 158586544) is 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7c(n6)c6ncccc6n7-c6ccccc6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7oc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cncc(-c6ccc7sc8cccnc8c7n6)c5)ccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is HTWYZDMLLWMMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N8.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)51-36-58(66-61(65-51)40-17-6-2-7-18-40)69-53-24-13-11-22-47(53)49-35-42(27-30-55(49)69)41-26-29-54-48(34-41)46-21-10-12-23-52(46)68(54)45-33-43(37-62-38-45)50-28-31-57-60(64-50)59-56(25-14-32-63-59)67(57)44-19-8-3-9-20-44;2*1-3-12-34(13-4-1)45-31-52(60-55(59-45)35-14-5-2-6-15-35)62-47-19-10-8-17-41(47)43-30-37(22-25-49(43)62)36-21-24-48-42(29-36)40-16-7-9-18-46(40)61(48)39-28-38(32-56-33-39)44-23-26-51-54(58-44)53-50(63-51)20-11-27-57-53/h1-38H;2*1-33H.
What are the key properties of 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2514.93 g/mol, XLogP of 41.94, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[5-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 158586544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).