N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

C42H29BrN2 — CID 121328111

IUPACN-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H29BrN2/c43-34-23-19-32(20-24-34)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(35-9-3-1-4-10-35)38-27-28-42-40(29-38)39-13-7-8-14-41(39)45(42)36-11-5-2-6-12-36/h1-29H
InChIKeyHARILTCYRLKDQB-UHFFFAOYSA-N
MW641.61 g/mol
LogP12.35
Rot. Bonds6

About N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 121328111) has the molecular formula C42H29BrN2 and a molecular weight of 641.61 g/mol. Its IUPAC name is N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID121328111
Molecular FormulaC42H29BrN2
Molecular Weight641.61 g/mol
Exact Mass640.15
IUPAC NameN-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C42H29BrN2/c43-34-23-19-32(20-24-34)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(35-9-3-1-4-10-35)38-27-28-42-40(29-38)39-13-7-8-14-41(39)45(42)36-11-5-2-6-12-36/h1-29H
InChIKeyHARILTCYRLKDQB-UHFFFAOYSA-N
XLogP12.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.61
LogP ≤ 512.35
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
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 149383852
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
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-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 121328111) is N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is Brc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is HARILTCYRLKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29BrN2/c43-34-23-19-32(20-24-34)30-15-17-31(18-16-30)33-21-25-37(26-22-33)44(35-9-3-1-4-10-35)38-27-28-42-40(29-38)39-13-7-8-14-41(39)45(42)36-11-5-2-6-12-36/h1-29H.
What are the key properties of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 641.61 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 121328111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).