ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C49H48N2 — CID 144918413

IUPACethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=C/C=C(\C=C/C)N(c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12.CC.CC
InChIInChI=1S/C45H36N2.2C2H6/c1-3-14-38(15-4-2)46(44-24-12-18-36-16-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-5-7-21-39)45-25-13-19-37-17-9-11-23-43(37)45;2*1-2/h3-33H,1H2,2H3;2*1-2H3/b15-4-,38-14+;;
InChIKeyRPTPBQGXSXTPMV-IUOXTCCXSA-N
MW664.94 g/mol
LogP14.97
Rot. Bonds9

About ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine

ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 144918413) has the molecular formula C49H48N2 and a molecular weight of 664.94 g/mol. Its IUPAC name is ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Nameethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID144918413
Molecular FormulaC49H48N2
Molecular Weight664.94 g/mol
Exact Mass664.38
IUPAC Nameethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=C/C=C(\C=C/C)N(c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12.CC.CC
InChIInChI=1S/C45H36N2.2C2H6/c1-3-14-38(15-4-2)46(44-24-12-18-36-16-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-5-7-21-39)45-25-13-19-37-17-9-11-23-43(37)45;2*1-2/h3-33H,1H2,2H3;2*1-2H3/b15-4-,38-14+;;
InChIKeyRPTPBQGXSXTPMV-IUOXTCCXSA-N
XLogP14.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[hepta-2,4-dien-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123437174
N-[4-[2-[4-[2,3-bis(ethenyl)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 145407742
N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine
CID 143485799
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 144918413) is ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is C=C/C=C(\C=C/C)N(c1ccc(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12.CC.CC.
What is the InChIKey of ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is RPTPBQGXSXTPMV-IUOXTCCXSA-N. The full InChI is InChI=1S/C45H36N2.2C2H6/c1-3-14-38(15-4-2)46(44-24-12-18-36-16-8-10-22-42(36)44)40-30-26-34(27-31-40)35-28-32-41(33-29-35)47(39-20-6-5-7-21-39)45-25-13-19-37-17-9-11-23-43(37)45;2*1-2/h3-33H,1H2,2H3;2*1-2H3/b15-4-,38-14+;;.
What are the key properties of ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 664.94 g/mol, XLogP of 14.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 144918413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).