2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C30H23BrN2 — CID 170040263

IUPAC2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESBrc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23BrN2/c31-30-28(32(24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyDXBTZHGIRVDPLA-UHFFFAOYSA-N
MW491.43 g/mol
LogP9.39
Rot. Bonds6

About 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 170040263) has the molecular formula C30H23BrN2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID170040263
Molecular FormulaC30H23BrN2
Molecular Weight491.43 g/mol
Exact Mass490.10
IUPAC Name2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESBrc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23BrN2/c31-30-28(32(24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H
InChIKeyDXBTZHGIRVDPLA-UHFFFAOYSA-N
XLogP9.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
2,3-diiodo-N,N-diphenylaniline
CID 66868227
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
4-bromo-N,N-diphenylthiophen-3-amine
CID 15419001
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
CID 175066969
3,4,5-tribromo-N,N-diphenylaniline
CID 147691236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 170040263) is 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is Brc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is DXBTZHGIRVDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN2/c31-30-28(32(24-14-5-1-6-15-24)25-16-7-2-8-17-25)22-13-23-29(30)33(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23H.
What are the key properties of 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 491.43 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 170040263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).