N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine

C34H28Br2N2 — CID 130402671

IUPACN,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(N(c4ccc(Br)c(C)c4)c4ccc(Br)c(C)c4)ccc32)cc1
InChIInChI=1S/C34H28Br2N2/c1-21-5-8-25(9-6-21)38-33-15-7-22(2)17-29(33)30-20-28(12-16-34(30)38)37(26-10-13-31(35)23(3)18-26)27-11-14-32(36)24(4)19-27/h5-20H,1-4H3
InChIKeyKQKDYBMLRVJAOY-UHFFFAOYSA-N
MW624.42 g/mol
LogP11.01
Rot. Bonds4

About N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine

N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine (PubChem CID 130402671) has the molecular formula C34H28Br2N2 and a molecular weight of 624.42 g/mol. Its IUPAC name is N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
PubChem CID130402671
Molecular FormulaC34H28Br2N2
Molecular Weight624.42 g/mol
Exact Mass622.06
IUPAC NameN,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc(N(c4ccc(Br)c(C)c4)c4ccc(Br)c(C)c4)ccc32)cc1
InChIInChI=1S/C34H28Br2N2/c1-21-5-8-25(9-6-21)38-33-15-7-22(2)17-29(33)30-20-28(12-16-34(30)38)37(26-10-13-31(35)23(3)18-26)27-11-14-32(36)24(4)19-27/h5-20H,1-4H3
InChIKeyKQKDYBMLRVJAOY-UHFFFAOYSA-N
XLogP11.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.42
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130398280
9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The IUPAC name of N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine (CID 130402671) is N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine is Cc1ccc(-n2c3ccc(C)cc3c3cc(N(c4ccc(Br)c(C)c4)c4ccc(Br)c(C)c4)ccc32)cc1.
What is the InChIKey of N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The InChIKey is KQKDYBMLRVJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Br2N2/c1-21-5-8-25(9-6-21)38-33-15-7-22(2)17-29(33)30-20-28(12-16-34(30)38)37(26-10-13-31(35)23(3)18-26)27-11-14-32(36)24(4)19-27/h5-20H,1-4H3.
What are the key properties of N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine has a molecular weight of 624.42 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 130402671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).