3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C36H25BrN2 — CID 149383852

IUPAC3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESBrc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c1
InChIInChI=1S/C36H25BrN2/c37-28-10-9-15-32(25-28)38(29-11-3-1-4-12-29)31-21-18-26(19-22-31)27-20-23-36-34(24-27)33-16-7-8-17-35(33)39(36)30-13-5-2-6-14-30/h1-25H
InChIKeyYMEKMYHKUIZEMG-UHFFFAOYSA-N
MW565.51 g/mol
LogP10.68
Rot. Bonds5

About 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 149383852) has the molecular formula C36H25BrN2 and a molecular weight of 565.51 g/mol. Its IUPAC name is 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID149383852
Molecular FormulaC36H25BrN2
Molecular Weight565.51 g/mol
Exact Mass564.12
IUPAC Name3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESBrc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c1
InChIInChI=1S/C36H25BrN2/c37-28-10-9-15-32(25-28)38(29-11-3-1-4-12-29)31-21-18-26(19-22-31)27-20-23-36-34(24-27)33-16-7-8-17-35(33)39(36)30-13-5-2-6-14-30/h1-25H
InChIKeyYMEKMYHKUIZEMG-UHFFFAOYSA-N
XLogP10.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.51
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 149383852) is 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Brc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c1.
What is the InChIKey of 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is YMEKMYHKUIZEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrN2/c37-28-10-9-15-32(25-28)38(29-11-3-1-4-12-29)31-21-18-26(19-22-31)27-20-23-36-34(24-27)33-16-7-8-17-35(33)39(36)30-13-5-2-6-14-30/h1-25H.
What are the key properties of 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 565.51 g/mol, XLogP of 10.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 149383852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).