6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine

C36H23BrN2S — CID 129194653

IUPAC6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C36H23BrN2S/c37-24-18-20-32-30(22-24)31-23-27(19-21-33(31)39(32)26-12-5-2-6-13-26)38(25-10-3-1-4-11-25)34-16-9-15-29-28-14-7-8-17-35(28)40-36(29)34/h1-23H
InChIKeyBZASBGSWBQSVDQ-UHFFFAOYSA-N
MW595.57 g/mol
LogP11.38
Rot. Bonds4

About 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine

6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine (PubChem CID 129194653) has the molecular formula C36H23BrN2S and a molecular weight of 595.57 g/mol. Its IUPAC name is 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine
PubChem CID129194653
Molecular FormulaC36H23BrN2S
Molecular Weight595.57 g/mol
Exact Mass594.08
IUPAC Name6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C36H23BrN2S/c37-24-18-20-32-30(22-24)31-23-27(19-21-33(31)39(32)26-12-5-2-6-13-26)38(25-10-3-1-4-11-25)34-16-9-15-29-28-14-7-8-17-35(28)40-36(29)34/h1-23H
InChIKeyBZASBGSWBQSVDQ-UHFFFAOYSA-N
XLogP11.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.57
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
4-N,4-N,10-N,10-N-tetraphenyl-7-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazole-4,10-diamine
CID 118122688
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 126702316
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
CID 140711508
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 129194626
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine?
The IUPAC name of 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine (CID 129194653) is 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine is Brc1ccc2c(c1)c1cc(N(c3ccccc3)c3cccc4c3sc3ccccc34)ccc1n2-c1ccccc1.
What is the InChIKey of 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine?
The InChIKey is BZASBGSWBQSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2S/c37-24-18-20-32-30(22-24)31-23-27(19-21-33(31)39(32)26-12-5-2-6-13-26)38(25-10-3-1-4-11-25)34-16-9-15-29-28-14-7-8-17-35(28)40-36(29)34/h1-23H.
What are the key properties of 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine?
6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine has a molecular weight of 595.57 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-dibenzothiophen-4-yl-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 129194653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).