3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole

C40H24BrNS — CID 122666250

IUPAC3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
SMILESBrc1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1
InChIInChI=1S/C40H24BrNS/c41-30-21-28(20-29(22-30)27-16-18-34-33-12-4-6-15-39(33)43-40(34)24-27)26-17-19-38-35(23-26)32-11-3-5-13-37(32)42(38)36-14-7-9-25-8-1-2-10-31(25)36/h1-24H
InChIKeyQKDRBMOLHAXVSY-UHFFFAOYSA-N
MW630.61 g/mol
LogP12.40
Rot. Bonds3

About 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole

3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole (PubChem CID 122666250) has the molecular formula C40H24BrNS and a molecular weight of 630.61 g/mol. Its IUPAC name is 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
PubChem CID122666250
Molecular FormulaC40H24BrNS
Molecular Weight630.61 g/mol
Exact Mass629.08
IUPAC Name3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
SMILESBrc1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1
InChIInChI=1S/C40H24BrNS/c41-30-21-28(20-29(22-30)27-16-18-34-33-12-4-6-15-39(33)43-40(34)24-27)26-17-19-38-35(23-26)32-11-3-5-13-37(32)42(38)36-14-7-9-25-8-1-2-10-31(25)36/h1-24H
InChIKeyQKDRBMOLHAXVSY-UHFFFAOYSA-N
XLogP12.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.61
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
2-[2-(4-bromophenyl)phenyl]-7-dibenzothiophen-2-yl-9-phenylcarbazole;2-[2-(4-bromophenyl)phenyl]-6,9-diphenylcarbazole;2-[2-(4-bromophenyl)phenyl]-7,9-diphenylcarbazole;2-[2-(4-bromophenyl)phenyl]-9-naphthalen-1-ylcarbazole
CID 157373948
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 88898926
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651946
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole (CID 122666250) is 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole is Brc1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c1.
What is the InChIKey of 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole?
The InChIKey is QKDRBMOLHAXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24BrNS/c41-30-21-28(20-29(22-30)27-16-18-34-33-12-4-6-15-39(33)43-40(34)24-27)26-17-19-38-35(23-26)32-11-3-5-13-37(32)42(38)36-14-7-9-25-8-1-2-10-31(25)36/h1-24H.
What are the key properties of 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole?
3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole has a molecular weight of 630.61 g/mol, XLogP of 12.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 122666250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).