N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine

C34H24BrN — CID 68968877

IUPACN-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(Nc4c(-c5ccccc5)ccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C34H24BrN/c35-30-19-14-26(15-20-30)24-10-12-25(13-11-24)27-16-21-31(22-17-27)36-34-32-9-5-4-8-29(32)18-23-33(34)28-6-2-1-3-7-28/h1-23,36H
InChIKeyXQBVWUNQDRUBOI-UHFFFAOYSA-N
MW526.48 g/mol
LogP10.35
Rot. Bonds5

About N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine

N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine (PubChem CID 68968877) has the molecular formula C34H24BrN and a molecular weight of 526.48 g/mol. Its IUPAC name is N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine
PubChem CID68968877
Molecular FormulaC34H24BrN
Molecular Weight526.48 g/mol
Exact Mass525.11
IUPAC NameN-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine
SMILESBrc1ccc(-c2ccc(-c3ccc(Nc4c(-c5ccccc5)ccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C34H24BrN/c35-30-19-14-26(15-20-30)24-10-12-25(13-11-24)27-16-21-31(22-17-27)36-34-32-9-5-4-8-29(32)18-23-33(34)28-6-2-1-3-7-28/h1-23,36H
InChIKeyXQBVWUNQDRUBOI-UHFFFAOYSA-N
XLogP10.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Phenanthren-9-yl)-phenyl-amine
CID 9943327
4-(4-bromophenyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline
CID 2839889
N9,N10-Diphenyl-9,10-anthracenediamine
CID 4645692
N-(4-Bromophenyl)-N-phenyl-1-naphthylamine
CID 18398525
N-(4-Biphenylyl)-1-naphthylamine
CID 59029879
10-Benzyl-8-bromo-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinoline
CID 44325292
N,N-di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine
CID 58672377
N-(4-(naphthalen-1-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 58900802
N-Phenylanthracen-9-amine
CID 13777361
N-Phenylanthracen-1-amine
CID 21444085
N-Mesitylnaphthalen-2-amine
CID 101801260
N1-([1,1'-Biphenyl]-2-yl)-N2-(2-phenylnaphthalen-1-yl)benzene-1,2-diamine
CID 170900385

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine (CID 68968877) is N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine is Brc1ccc(-c2ccc(-c3ccc(Nc4c(-c5ccccc5)ccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine?
The InChIKey is XQBVWUNQDRUBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BrN/c35-30-19-14-26(15-20-30)24-10-12-25(13-11-24)27-16-21-31(22-17-27)36-34-32-9-5-4-8-29(32)18-23-33(34)28-6-2-1-3-7-28/h1-23,36H.
What are the key properties of N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine?
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine has a molecular weight of 526.48 g/mol, XLogP of 10.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 68968877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).