N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine

C42H30N2 — CID 141423625

IUPACN-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4ccc(Nc5ccc6ccccc6c5)cc4-c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H30N2/c1-3-11-33-26-36(22-16-29(33)8-1)43-35-20-18-32(19-21-35)40-25-24-38(44-37-23-17-30-9-2-4-12-34(30)27-37)28-42(40)41-15-7-13-31-10-5-6-14-39(31)41/h1-28,43-44H
InChIKeyVCDYBLJMFGTCOM-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.97
Rot. Bonds6

About N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine

N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine (PubChem CID 141423625) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
PubChem CID141423625
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC NameN-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4ccc(Nc5ccc6ccccc6c5)cc4-c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C42H30N2/c1-3-11-33-26-36(22-16-29(33)8-1)43-35-20-18-32(19-21-35)40-25-24-38(44-37-23-17-30-9-2-4-12-34(30)27-37)28-42(40)41-15-7-13-31-10-5-6-14-39(31)41/h1-28,43-44H
InChIKeyVCDYBLJMFGTCOM-UHFFFAOYSA-N
XLogP11.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
N-(4-pyren-1-ylphenyl)naphthalen-2-amine
CID 142720547
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine (CID 141423625) is N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine is c1ccc2cc(Nc3ccc(-c4ccc(Nc5ccc6ccccc6c5)cc4-c4cccc5ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is VCDYBLJMFGTCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-11-33-26-36(22-16-29(33)8-1)43-35-20-18-32(19-21-35)40-25-24-38(44-37-23-17-30-9-2-4-12-34(30)27-37)28-42(40)41-15-7-13-31-10-5-6-14-39(31)41/h1-28,43-44H.
What are the key properties of N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine?
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 562.72 g/mol, XLogP of 11.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 141423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).