4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

C45H42N2 — CID 143268218

IUPAC4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC(CC(C)(C)C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C45H42N2/c1-33(32-45(2,3)4)34-21-24-40(25-22-34)47(44-20-12-16-36-14-10-11-19-43(36)44)41-29-27-39(28-30-41)46(38-17-6-5-7-18-38)42-26-23-35-13-8-9-15-37(35)31-42/h5-31,33H,32H2,1-4H3
InChIKeyDWNAPAYABOAFTG-UHFFFAOYSA-N
MW610.85 g/mol
LogP13.47
Rot. Bonds8

About 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine

4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (PubChem CID 143268218) has the molecular formula C45H42N2 and a molecular weight of 610.85 g/mol. Its IUPAC name is 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
PubChem CID143268218
Molecular FormulaC45H42N2
Molecular Weight610.85 g/mol
Exact Mass610.33
IUPAC Name4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
SMILESCC(CC(C)(C)C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C45H42N2/c1-33(32-45(2,3)4)34-21-24-40(25-22-34)47(44-20-12-16-36-14-10-11-19-43(36)44)41-29-27-39(28-30-41)46(38-17-6-5-7-18-38)42-26-23-35-13-8-9-15-37(35)31-42/h5-31,33H,32H2,1-4H3
InChIKeyDWNAPAYABOAFTG-UHFFFAOYSA-N
XLogP13.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
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
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
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
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 118686066
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-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
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine (CID 143268218) is 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is CC(CC(C)(C)C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is DWNAPAYABOAFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42N2/c1-33(32-45(2,3)4)34-21-24-40(25-22-34)47(44-20-12-16-36-14-10-11-19-43(36)44)41-29-27-39(28-30-41)46(38-17-6-5-7-18-38)42-26-23-35-13-8-9-15-37(35)31-42/h5-31,33H,32H2,1-4H3.
What are the key properties of 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine?
4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 610.85 g/mol, XLogP of 13.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 143268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).