4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine

C50H43N3 — CID 143477598

IUPAC4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine
SMILESC=C(/C=C\C)N(C(=C)/C=C\C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C50H43N3/c1-5-18-38(3)51(39(4)19-6-2)49-36-37-50(48-27-17-16-26-47(48)49)53(44-24-14-9-15-25-44)46-34-30-41(31-35-46)40-28-32-45(33-29-40)52(42-20-10-7-11-21-42)43-22-12-8-13-23-43/h5-37H,3-4H2,1-2H3/b18-5-,19-6-
InChIKeyLRVPWGFMTZTWKP-GKIHVPCKSA-N
MW685.92 g/mol
LogP14.43
Rot. Bonds12

About 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine

4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine (PubChem CID 143477598) has the molecular formula C50H43N3 and a molecular weight of 685.92 g/mol. Its IUPAC name is 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine
PubChem CID143477598
Molecular FormulaC50H43N3
Molecular Weight685.92 g/mol
Exact Mass685.35
IUPAC Name4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine
SMILESC=C(/C=C\C)N(C(=C)/C=C\C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C50H43N3/c1-5-18-38(3)51(39(4)19-6-2)49-36-37-50(48-27-17-16-26-47(48)49)53(44-24-14-9-15-25-44)46-34-30-41(31-35-46)40-28-32-45(33-29-40)52(42-20-10-7-11-21-42)43-22-12-8-13-23-43/h5-37H,3-4H2,1-2H3/b18-5-,19-6-
InChIKeyLRVPWGFMTZTWKP-GKIHVPCKSA-N
XLogP14.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.92
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,9-N-bis[4-(N-phenylanilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine;3-N,9-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine
CID 162068831
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine (CID 143477598) is 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine is C=C(/C=C\C)N(C(=C)/C=C\C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc12.
What is the InChIKey of 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine?
The InChIKey is LRVPWGFMTZTWKP-GKIHVPCKSA-N. The full InChI is InChI=1S/C50H43N3/c1-5-18-38(3)51(39(4)19-6-2)49-36-37-50(48-27-17-16-26-47(48)49)53(44-24-14-9-15-25-44)46-34-30-41(31-35-46)40-28-32-45(33-29-40)52(42-20-10-7-11-21-42)43-22-12-8-13-23-43/h5-37H,3-4H2,1-2H3/b18-5-,19-6-.
What are the key properties of 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine?
4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine has a molecular weight of 685.92 g/mol, XLogP of 14.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[(3Z)-penta-1,3-dien-2-yl]-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalene-1,4-diamine is sourced from PubChem (CID 143477598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).