4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

C39H34N2 — CID 123948232

IUPAC4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC=C(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C39H34N2/c1-3-30(4-2)31-22-24-36(25-23-31)41(39-21-13-15-32-14-11-12-20-38(32)39)37-28-26-35(27-29-37)40(33-16-7-5-8-17-33)34-18-9-6-10-19-34/h3,5-29H,4H2,1-2H3
InChIKeyQWHJJHMSIFUWPD-UHFFFAOYSA-N
MW530.72 g/mol
LogP11.59
Rot. Bonds8

About 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 123948232) has the molecular formula C39H34N2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID123948232
Molecular FormulaC39H34N2
Molecular Weight530.72 g/mol
Exact Mass530.27
IUPAC Name4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC=C(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C39H34N2/c1-3-30(4-2)31-22-24-36(25-23-31)41(39-21-13-15-32-14-11-12-20-38(32)39)37-28-26-35(27-29-37)40(33-16-7-5-8-17-33)34-18-9-6-10-19-34/h3,5-29H,4H2,1-2H3
InChIKeyQWHJJHMSIFUWPD-UHFFFAOYSA-N
XLogP11.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 176548656
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 123948232) is 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is CC=C(CC)c1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is QWHJJHMSIFUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2/c1-3-30(4-2)31-22-24-36(25-23-31)41(39-21-13-15-32-14-11-12-20-38(32)39)37-28-26-35(27-29-37)40(33-16-7-5-8-17-33)34-18-9-6-10-19-34/h3,5-29H,4H2,1-2H3.
What are the key properties of 4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 530.72 g/mol, XLogP of 11.59, 8 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-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 123948232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).