10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole

C113H69N9O2S2 — CID 157063667

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5sc6ccccc6c54)cc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5oc6ccc(-c7ccc8ccccc8c7)cc6c54)c3)n2)cc1.c1ccc(-n2c3cnccc3c3cc(-c4ccc5sc6c7ccccc7n(-c7ccccc7)c6c5c4)ncc32)cc1
InChIInChI=1S/C45H28N4O.C36H22N4S.C32H19NOS/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33;1-3-9-24(10-4-1)39-32-21-37-18-17-26(32)28-20-30(38-22-33(28)39)23-15-16-34-29(19-23)35-36(41-34)27-13-7-8-14-31(27)40(35)25-11-5-2-6-12-25;1-2-9-20(10-3-1)22-13-8-14-23-26-19-21(17-18-28(26)34-31(22)23)33-27-15-6-4-11-24(27)32-30(33)25-12-5-7-16-29(25)35-32/h1-28H;1-22H;1-19H
InChIKeyABPUHJORKRLGEG-UHFFFAOYSA-N
MW1648.99 g/mol
LogP30.65
Rot. Bonds10

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole (PubChem CID 157063667) has the molecular formula C113H69N9O2S2 and a molecular weight of 1648.99 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole
PubChem CID157063667
Molecular FormulaC113H69N9O2S2
Molecular Weight1648.99 g/mol
Exact Mass1647.50
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5sc6ccccc6c54)cc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5oc6ccc(-c7ccc8ccccc8c7)cc6c54)c3)n2)cc1.c1ccc(-n2c3cnccc3c3cc(-c4ccc5sc6c7ccccc7n(-c7ccccc7)c6c5c4)ncc32)cc1
InChIInChI=1S/C45H28N4O.C36H22N4S.C32H19NOS/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33;1-3-9-24(10-4-1)39-32-21-37-18-17-26(32)28-20-30(38-22-33(28)39)23-15-16-34-29(19-23)35-36(41-34)27-13-7-8-14-31(27)40(35)25-11-5-2-6-12-25;1-2-9-20(10-3-1)22-13-8-14-23-26-19-21(17-18-28(26)34-31(22)23)33-27-15-6-4-11-24(27)32-30(33)25-12-5-7-16-29(25)35-32/h1-28H;1-22H;1-19H
InChIKeyABPUHJORKRLGEG-UHFFFAOYSA-N
XLogP30.65
TPSA110.45 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001648.99
LogP ≤ 530.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole 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 158466648
CID 158466648
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2-cyano-6-methylphenyl)benzonitrile;2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159561087
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
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;4-[3-isocyano-5-(trifluoromethyl)phenyl]-3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 161414512
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
15-(2-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-3-oxa-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-undecaene
CID 118506509
4-Pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118543866

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole (CID 157063667) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole is c1ccc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5sc6ccccc6c54)cc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5oc6ccc(-c7ccc8ccccc8c7)cc6c54)c3)n2)cc1.c1ccc(-n2c3cnccc3c3cc(-c4ccc5sc6c7ccccc7n(-c7ccccc7)c6c5c4)ncc32)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is ABPUHJORKRLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O.C36H22N4S.C32H19NOS/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33;1-3-9-24(10-4-1)39-32-21-37-18-17-26(32)28-20-30(38-22-33(28)39)23-15-16-34-29(19-23)35-36(41-34)27-13-7-8-14-31(27)40(35)25-11-5-2-6-12-25;1-2-9-20(10-3-1)22-13-8-14-23-26-19-21(17-18-28(26)34-31(22)23)33-27-15-6-4-11-24(27)32-30(33)25-12-5-7-16-29(25)35-32/h1-28H;1-22H;1-19H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 1648.99 g/mol, XLogP of 30.65, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-b]indole;10-(6-phenyldibenzofuran-2-yl)-[1]benzothiolo[3,2-b]indole;10-phenyl-8-(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 157063667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).