4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine

C45H36N2 — CID 155337035

IUPAC4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)N(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C45H36N2/c1-45(2,38-19-4-3-5-20-38)47(44-22-12-18-35-15-10-11-21-43(35)44)40-29-27-39(28-30-40)46(41-25-23-33-13-6-8-16-36(33)31-41)42-26-24-34-14-7-9-17-37(34)32-42/h3-32H,1-2H3
InChIKeyBVCRPDQYSBIUFI-UHFFFAOYSA-N
MW604.80 g/mol
LogP12.69
Rot. Bonds7

About 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine

4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine (PubChem CID 155337035) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
PubChem CID155337035
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC Name4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)N(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C45H36N2/c1-45(2,38-19-4-3-5-20-38)47(44-22-12-18-35-15-10-11-21-43(35)44)40-29-27-39(28-30-40)46(41-25-23-33-13-6-8-16-36(33)31-41)42-26-24-34-14-7-9-17-37(34)32-42/h3-32H,1-2H3
InChIKeyBVCRPDQYSBIUFI-UHFFFAOYSA-N
XLogP12.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 137397880
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine (CID 155337035) is 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine is CC(C)(c1ccccc1)N(c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine?
The InChIKey is BVCRPDQYSBIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-45(2,38-19-4-3-5-20-38)47(44-22-12-18-35-15-10-11-21-43(35)44)40-29-27-39(28-30-40)46(41-25-23-33-13-6-8-16-36(33)31-41)42-26-24-34-14-7-9-17-37(34)32-42/h3-32H,1-2H3.
What are the key properties of 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine?
4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine has a molecular weight of 604.80 g/mol, XLogP of 12.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 155337035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).