2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole

C52H32N2S — CID 167243474

IUPAC2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc4n(-c4cccc5sc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C52H32N2S/c1-3-12-33(13-4-1)38-22-25-40-42-29-36(24-27-46(42)54(48(40)32-38)47-19-11-21-51-52(47)41-18-9-10-20-50(41)55-51)37-23-26-45-43(30-37)44-28-34-14-7-8-15-35(34)31-49(44)53(45)39-16-5-2-6-17-39/h1-32H
InChIKeyGNBLTBRUILCODY-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole

2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole (PubChem CID 167243474) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
PubChem CID167243474
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc4n(-c4cccc5sc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C52H32N2S/c1-3-12-33(13-4-1)38-22-25-40-42-29-36(24-27-46(42)54(48(40)32-38)47-19-11-21-51-52(47)41-18-9-10-20-50(41)55-51)37-23-26-45-43(30-37)44-28-34-14-7-8-15-35(34)31-49(44)53(45)39-16-5-2-6-17-39/h1-32H
InChIKeyGNBLTBRUILCODY-UHFFFAOYSA-N
XLogP14.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165044715
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961037
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The IUPAC name of 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole (CID 167243474) is 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc4n(-c4cccc5sc6ccccc6c45)c3c2)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The InChIKey is GNBLTBRUILCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-3-12-33(13-4-1)38-22-25-40-42-29-36(24-27-46(42)54(48(40)32-38)47-19-11-21-51-52(47)41-18-9-10-20-50(41)55-51)37-23-26-45-43(30-37)44-28-34-14-7-8-15-35(34)31-49(44)53(45)39-16-5-2-6-17-39/h1-32H.
What are the key properties of 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole has a molecular weight of 716.91 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 167243474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).