2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole

C40H26N2S — CID 144587911

IUPAC2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4sc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C40H26N2S/c1-3-11-27(12-4-1)28-19-22-31(23-20-28)42-36-18-10-8-16-33(36)40-38(42)26-39(43-40)29-21-24-37-34(25-29)32-15-7-9-17-35(32)41(37)30-13-5-2-6-14-30/h1-26H
InChIKeyFNPXQAZWCWEDNW-UHFFFAOYSA-N
MW566.73 g/mol
LogP11.28
Rot. Bonds4

About 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole

2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole (PubChem CID 144587911) has the molecular formula C40H26N2S and a molecular weight of 566.73 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
PubChem CID144587911
Molecular FormulaC40H26N2S
Molecular Weight566.73 g/mol
Exact Mass566.18
IUPAC Name2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4sc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C40H26N2S/c1-3-11-27(12-4-1)28-19-22-31(23-20-28)42-36-18-10-8-16-33(36)40-38(42)26-39(43-40)29-21-24-37-34(25-29)32-15-7-9-17-35(32)41(37)30-13-5-2-6-14-30/h1-26H
InChIKeyFNPXQAZWCWEDNW-UHFFFAOYSA-N
XLogP11.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole
CID 140932049

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole (CID 144587911) is 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole is c1ccc(-c2ccc(-n3c4ccccc4c4sc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole?
The InChIKey is FNPXQAZWCWEDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2S/c1-3-11-27(12-4-1)28-19-22-31(23-20-28)42-36-18-10-8-16-33(36)40-38(42)26-39(43-40)29-21-24-37-34(25-29)32-15-7-9-17-35(32)41(37)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole?
2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole has a molecular weight of 566.73 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole is sourced from PubChem (CID 144587911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).