benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C144H113N13OS — CID 157072930

IUPACbenzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(C)c2ccccc2Nc2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccccc1.c1ccncc1.c1cnc2c(c1)[nH]c1ncccc12.c1cncc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H19N.2C18H13N.C15H15N.C12H9NO.C12H9NS.C12H9N.C11H8N2.C10H7N3.C6H6.C5H5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;2*1-2-4-6-5-3-1/h1-18,26H;1-12,18H;1-13H;3-10,16H,1-2H3;2*1-8,13H;1-8,13H;1-7,13H;1-6H,(H,12,13);1-6H;1-5H
InChIKeyACQJEPAYCQVMHY-UHFFFAOYSA-N
MW2073.64 g/mol
LogP37.57
Rot. Bonds4

About benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157072930) has the molecular formula C144H113N13OS and a molecular weight of 2073.64 g/mol. Its IUPAC name is benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Namebenzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157072930
Molecular FormulaC144H113N13OS
Molecular Weight2073.64 g/mol
Exact Mass2071.89
IUPAC Namebenzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC1(C)c2ccccc2Nc2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccccc1.c1ccncc1.c1cnc2c(c1)[nH]c1ncccc12.c1cncc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H19N.2C18H13N.C15H15N.C12H9NO.C12H9NS.C12H9N.C11H8N2.C10H7N3.C6H6.C5H5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;2*1-2-4-6-5-3-1/h1-18,26H;1-12,18H;1-13H;3-10,16H,1-2H3;2*1-8,13H;1-8,13H;1-7,13H;1-6H,(H,12,13);1-6H;1-5H
InChIKeyACQJEPAYCQVMHY-UHFFFAOYSA-N
XLogP37.57
TPSA174.10 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.64
LogP ≤ 537.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

9-[4-Carbazol-9-yl-2,6-bis(4-methylphenyl)phenyl]carbazole;9-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[4-phenothiazin-10-yl-2,5-di(pyrimidin-2-yl)phenyl]phenothiazine;10-[4-phenoxazin-10-yl-2,6-bis(trifluoromethyl)phenyl]phenoxazine
CID 159440060
1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine
CID 141387522
1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine
CID 141422689
11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine
CID 157095068
5-methyl-10-[4-[5-[4-(10-methylphenazin-5-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]phenazine;10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenothiazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenothiazine;10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenoxazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenoxazine;hexakis(palladium(2+))
CID 157128160
13,16-Bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,15-bis(9,9-dimethylacridin-10-yl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
CID 157322122
3-N,6-N-bis[4-(2-ethylhexoxy)phenyl]-9-methyl-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-butoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;6-N-(4-ethoxyphenyl)-9-methyl-3-N-(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;formaldehyde;[4-(N-[6-(N-(4-methoxyphenyl)anilino)-9-methylcarbazol-3-yl]anilino)phenyl]methanol;10-methylphenothiazine;10-methylphenoxazine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157371593
10-[2-[2,7-Bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenothiazine;10-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenoxazine;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))
CID 157388854
2-(4-Carbazol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;2-(5-carbazol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;2-[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[4,5-b]pyridine;2-[5-(9,9-dimethylacridin-10-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-b]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine;10-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenoxazine;10-[6-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]phenoxazine
CID 157396585
CID 157399542
CID 157399542
1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine
CID 157428149
3-(10,10-Dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole;9-phenyl-6-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyridin-2-yl-6-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole;9-pyridin-2-yl-6-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,4-b]indole;9-pyrimidin-2-yl-6-spiro[thioxanthene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
CID 157530705

Frequently Asked Questions

What is the IUPAC name of benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157072930) is benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1(C)c2ccccc2Nc2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccccc1.c1ccncc1.c1cnc2c(c1)[nH]c1ncccc12.c1cncc(C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ACQJEPAYCQVMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.2C18H13N.C15H15N.C12H9NO.C12H9NS.C12H9N.C11H8N2.C10H7N3.C6H6.C5H5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25;1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)13-6-5-11-19-12-13;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;2*1-2-4-6-5-3-1/h1-18,26H;1-12,18H;1-13H;3-10,16H,1-2H3;2*1-8,13H;1-8,13H;1-7,13H;1-6H,(H,12,13);1-6H;1-5H.
What are the key properties of benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2073.64 g/mol, XLogP of 37.57, 4 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157072930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).