3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C30H18BrNS — CID 89448363

IUPAC3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESBrc1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H18BrNS/c31-21-13-10-19(11-14-21)20-12-15-25-27(18-20)32(22-6-2-1-3-7-22)26-17-16-24-23-8-4-5-9-28(23)33-30(24)29(25)26/h1-18H
InChIKeyORSLKGBWOSLTKU-UHFFFAOYSA-N
MW504.45 g/mol
LogP9.58
Rot. Bonds2

About 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 89448363) has the molecular formula C30H18BrNS and a molecular weight of 504.45 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID89448363
Molecular FormulaC30H18BrNS
Molecular Weight504.45 g/mol
Exact Mass503.03
IUPAC Name3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESBrc1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H18BrNS/c31-21-13-10-19(11-14-21)20-12-15-25-27(18-20)32(22-6-2-1-3-7-22)26-17-16-24-23-8-4-5-9-28(23)33-30(24)29(25)26/h1-18H
InChIKeyORSLKGBWOSLTKU-UHFFFAOYSA-N
XLogP9.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.45
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 126702316
N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 126702091
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 162164972
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
5-(3-phenylphenyl)-24-(4-phenylphenyl)-15-thia-5,24-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene
CID 171588281
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 89448363) is 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is Brc1ccc(-c2ccc3c4c5sc6ccccc6c5ccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ORSLKGBWOSLTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrNS/c31-21-13-10-19(11-14-21)20-12-15-25-27(18-20)32(22-6-2-1-3-7-22)26-17-16-24-23-8-4-5-9-28(23)33-30(24)29(25)26/h1-18H.
What are the key properties of 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 504.45 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 89448363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).