N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline

C30H20Br2N2 — CID 66872107

IUPACN,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C30H20Br2N2/c31-21-9-13-23(14-10-21)33(24-15-11-22(32)12-16-24)25-17-19-26(20-18-25)34-29-7-3-1-5-27(29)28-6-2-4-8-30(28)34/h1-20H
InChIKeyORXQMLPEWCMHJY-UHFFFAOYSA-N
MW568.31 g/mol
LogP9.78
Rot. Bonds4

About N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline

N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline (PubChem CID 66872107) has the molecular formula C30H20Br2N2 and a molecular weight of 568.31 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline
PubChem CID66872107
Molecular FormulaC30H20Br2N2
Molecular Weight568.31 g/mol
Exact Mass566.00
IUPAC NameN,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C30H20Br2N2/c31-21-9-13-23(14-10-21)33(24-15-11-22(32)12-16-24)25-17-19-26(20-18-25)34-29-7-3-1-5-27(29)28-6-2-4-8-30(28)34/h1-20H
InChIKeyORXQMLPEWCMHJY-UHFFFAOYSA-N
XLogP9.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.31
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline?
The IUPAC name of N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline (CID 66872107) is N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline?
The InChIKey is ORXQMLPEWCMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br2N2/c31-21-9-13-23(14-10-21)33(24-15-11-22(32)12-16-24)25-17-19-26(20-18-25)34-29-7-3-1-5-27(29)28-6-2-4-8-30(28)34/h1-20H.
What are the key properties of N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline?
N,N-bis(4-bromophenyl)-4-carbazol-9-ylaniline has a molecular weight of 568.31 g/mol, XLogP of 9.78, 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-bromophenyl)-4-carbazol-9-ylaniline is sourced from PubChem (CID 66872107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).