2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole

C40H24BrNS — CID 122666145

IUPAC2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2c3ccccc3cc3c2sc2ccccc23)c1
InChIInChI=1S/C40H24BrNS/c41-29-21-27(25-18-19-33-32-14-6-8-16-36(32)42(37(33)24-25)30-11-2-1-3-12-30)20-28(22-29)39-31-13-5-4-10-26(31)23-35-34-15-7-9-17-38(34)43-40(35)39/h1-24H
InChIKeyOZZWOYCCXREUNH-UHFFFAOYSA-N
MW630.61 g/mol
LogP12.40
Rot. Bonds3

About 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole

2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole (PubChem CID 122666145) has the molecular formula C40H24BrNS and a molecular weight of 630.61 g/mol. Its IUPAC name is 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole
PubChem CID122666145
Molecular FormulaC40H24BrNS
Molecular Weight630.61 g/mol
Exact Mass629.08
IUPAC Name2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole
SMILESBrc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2c3ccccc3cc3c2sc2ccccc23)c1
InChIInChI=1S/C40H24BrNS/c41-29-21-27(25-18-19-33-32-14-6-8-16-36(32)42(37(33)24-25)30-11-2-1-3-12-30)20-28(22-29)39-31-13-5-4-10-26(31)23-35-34-15-7-9-17-38(34)43-40(35)39/h1-24H
InChIKeyOZZWOYCCXREUNH-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

Analyze 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-bromo-5-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-9-phenylcarbazole
CID 122666172
2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 144964121
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
CID 118349518
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole (CID 122666145) is 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole is Brc1cc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc(-c2c3ccccc3cc3c2sc2ccccc23)c1.
What is the InChIKey of 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole?
The InChIKey is OZZWOYCCXREUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24BrNS/c41-29-21-27(25-18-19-33-32-14-6-8-16-36(32)42(37(33)24-25)30-11-2-1-3-12-30)20-28(22-29)39-31-13-5-4-10-26(31)23-35-34-15-7-9-17-38(34)43-40(35)39/h1-24H.
What are the key properties of 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole?
2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole 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 2-(3-bromo-5-naphtho[2,3-b][1]benzothiol-6-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 122666145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).