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

C35H21N3S — CID 132568146

IUPAC9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C35H21N3S/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)22-15-17-33-28(20-22)29-21-23(16-18-34(29)39-33)38-32-14-6-3-10-26(32)27-11-7-19-36-35(27)38/h1-21H
InChIKeyYGODUHLGSOGJGW-UHFFFAOYSA-N
MW515.64 g/mol
LogP9.64
Rot. Bonds2

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

9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole (PubChem CID 132568146) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
PubChem CID132568146
Molecular FormulaC35H21N3S
Molecular Weight515.64 g/mol
Exact Mass515.15
IUPAC Name9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C35H21N3S/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)22-15-17-33-28(20-22)29-21-23(16-18-34(29)39-33)38-32-14-6-3-10-26(32)27-11-7-19-36-35(27)38/h1-21H
InChIKeyYGODUHLGSOGJGW-UHFFFAOYSA-N
XLogP9.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole (CID 132568146) is 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole is c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
The InChIKey is YGODUHLGSOGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)22-15-17-33-28(20-22)29-21-23(16-18-34(29)39-33)38-32-14-6-3-10-26(32)27-11-7-19-36-35(27)38/h1-21H.
What are the key properties of 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole?
9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole has a molecular weight of 515.64 g/mol, XLogP of 9.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 132568146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).