N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

C36H25BrN2 — CID 66584191

IUPACN-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H25BrN2/c37-28-18-22-32(23-19-28)38(29-9-3-1-4-10-29)31-20-15-26(16-21-31)27-17-24-36-34(25-27)33-13-7-8-14-35(33)39(36)30-11-5-2-6-12-30/h1-25H
InChIKeyMKKQYJZRYDUTNT-UHFFFAOYSA-N
MW565.51 g/mol
LogP10.68
Rot. Bonds5

About N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline

N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 66584191) has the molecular formula C36H25BrN2 and a molecular weight of 565.51 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID66584191
Molecular FormulaC36H25BrN2
Molecular Weight565.51 g/mol
Exact Mass564.12
IUPAC NameN-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H25BrN2/c37-28-18-22-32(23-19-28)38(29-9-3-1-4-10-29)31-20-15-26(16-21-31)27-17-24-36-34(25-27)33-13-7-8-14-35(33)39(36)30-11-5-2-6-12-30/h1-25H
InChIKeyMKKQYJZRYDUTNT-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-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 149383852
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
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-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
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-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 66584191) is N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is Brc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is MKKQYJZRYDUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrN2/c37-28-18-22-32(23-19-28)38(29-9-3-1-4-10-29)31-20-15-26(16-21-31)27-17-24-36-34(25-27)33-13-7-8-14-35(33)39(36)30-11-5-2-6-12-30/h1-25H.
What are the key properties of N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline?
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)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 N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 66584191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).