N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine

C36H23BrN2S — CID 129194626

IUPACN-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESBrc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1
InChIInChI=1S/C36H23BrN2S/c37-24-15-19-35-31(21-24)32-22-27(17-20-36(32)40-35)38(25-9-3-1-4-10-25)28-16-18-30-29-13-7-8-14-33(29)39(34(30)23-28)26-11-5-2-6-12-26/h1-23H
InChIKeyDXMASUAMDAVSEG-UHFFFAOYSA-N
MW595.57 g/mol
LogP11.38
Rot. Bonds4

About N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine

N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine (PubChem CID 129194626) has the molecular formula C36H23BrN2S and a molecular weight of 595.57 g/mol. Its IUPAC name is N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
PubChem CID129194626
Molecular FormulaC36H23BrN2S
Molecular Weight595.57 g/mol
Exact Mass594.08
IUPAC NameN-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
SMILESBrc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1
InChIInChI=1S/C36H23BrN2S/c37-24-15-19-35-31(21-24)32-22-27(17-20-36(32)40-35)38(25-9-3-1-4-10-25)28-16-18-30-29-13-7-8-14-33(29)39(34(30)23-28)26-11-5-2-6-12-26/h1-23H
InChIKeyDXMASUAMDAVSEG-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

Analyze N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine 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

N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzothiophen-2-amine
CID 158224330
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702

Frequently Asked Questions

What is the IUPAC name of N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine (CID 129194626) is N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine is Brc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1.
What is the InChIKey of N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is DXMASUAMDAVSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2S/c37-24-15-19-35-31(21-24)32-22-27(17-20-36(32)40-35)38(25-9-3-1-4-10-25)28-16-18-30-29-13-7-8-14-33(29)39(34(30)23-28)26-11-5-2-6-12-26/h1-23H.
What are the key properties of N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine?
N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-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 N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 129194626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).