9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole

C43H29N5S — CID 163529706

IUPAC9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1c2ccccc2NC1c1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C43H29N5S/c1-46-39-15-7-4-12-35(39)45-42(46)26-16-19-38-32(23-26)31-11-8-22-44-43(31)48(38)28-18-21-41-34(25-28)33-24-27(17-20-40(33)49-41)47-36-13-5-2-9-29(36)30-10-3-6-14-37(30)47/h2-25,42,45H,1H3
InChIKeyDRWHWRAFXPHUSB-UHFFFAOYSA-N
MW647.81 g/mol
LogP11.20
Rot. Bonds3

About 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole

9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole (PubChem CID 163529706) has the molecular formula C43H29N5S and a molecular weight of 647.81 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole
PubChem CID163529706
Molecular FormulaC43H29N5S
Molecular Weight647.81 g/mol
Exact Mass647.21
IUPAC Name9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1c2ccccc2NC1c1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C43H29N5S/c1-46-39-15-7-4-12-35(39)45-42(46)26-16-19-38-32(23-26)31-11-8-22-44-43(31)48(38)28-18-21-41-34(25-28)33-24-27(17-20-40(33)49-41)47-36-13-5-2-9-29(36)30-10-3-6-14-37(30)47/h2-25,42,45H,1H3
InChIKeyDRWHWRAFXPHUSB-UHFFFAOYSA-N
XLogP11.20
TPSA38.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.81
LogP ≤ 511.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
6-phenyl-5-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)indolo[2,3-b]indole
CID 146631702
6-pyrido[2,3-b]indol-9-yl-9-[3-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)-1-benzothiophen-5-yl]pyrido[2,3-b]indole
CID 90251064
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
8-(9-phenylcarbazol-3-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104800
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole (CID 163529706) is 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole is CN1c2ccccc2NC1c1ccc2c(c1)c1cccnc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole?
The InChIKey is DRWHWRAFXPHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5S/c1-46-39-15-7-4-12-35(39)45-42(46)26-16-19-38-32(23-26)31-11-8-22-44-43(31)48(38)28-18-21-41-34(25-28)33-24-27(17-20-40(33)49-41)47-36-13-5-2-9-29(36)30-10-3-6-14-37(30)47/h2-25,42,45H,1H3.
What are the key properties of 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole?
9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 647.81 g/mol, XLogP of 11.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzothiophen-2-yl)-6-(3-methyl-1,2-dihydrobenzimidazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 163529706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).