1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide

C87H73N15 — CID 159308382

IUPAC1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide
SMILES[H]/N=C(\C=C/C=C)N(c1ccc(N(/C(C)=C/C=C\C)c2ccccn2)cc1)c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1
InChIInChI=1S/C32H24N6.C28H22N4.C27H27N5/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-17-19-26(20-18-25)32(27-15-7-9-21-29-27)28-16-8-10-22-30-28;1-4-6-12-22(3)31(26-14-8-10-20-29-26)23-16-18-24(19-17-23)32(25(28)13-7-5-2)27-15-9-11-21-30-27/h1-24H;1-22H;4-21,28H,2H2,1,3H3/b;;6-4-,13-7-,22-12+,28-25+
InChIKeyLCFFLTCFZLOXEI-XPUBQBBSSA-N
MW1328.65 g/mol
LogP22.24
Rot. Bonds21

About 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide

1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide (PubChem CID 159308382) has the molecular formula C87H73N15 and a molecular weight of 1328.65 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide
PubChem CID159308382
Molecular FormulaC87H73N15
Molecular Weight1328.65 g/mol
Exact Mass1327.62
IUPAC Name1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide
SMILES[H]/N=C(\C=C/C=C)N(c1ccc(N(/C(C)=C/C=C\C)c2ccccn2)cc1)c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1
InChIInChI=1S/C32H24N6.C28H22N4.C27H27N5/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-17-19-26(20-18-25)32(27-15-7-9-21-29-27)28-16-8-10-22-30-28;1-4-6-12-22(3)31(26-14-8-10-20-29-26)23-16-18-24(19-17-23)32(25(28)13-7-5-2)27-15-9-11-21-30-27/h1-24H;1-22H;4-21,28H,2H2,1,3H3/b;;6-4-,13-7-,22-12+,28-25+
InChIKeyLCFFLTCFZLOXEI-XPUBQBBSSA-N
XLogP22.24
TPSA146.41 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.65
LogP ≤ 522.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide with MolForge

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
CID 144920579
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
4-[10-[4-(N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]anilino)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 146535858
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
N-[4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 166937509
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
CID 144905375
2-(3-aminopentan-3-yl)-N-hexa-2,4-dien-2-yl-N-phenyl-5-(4-pyrimidin-5-ylphenyl)aniline
CID 90744695

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide?
The IUPAC name of 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide (CID 159308382) is 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide.
What is the SMILES notation for 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide?
The canonical SMILES for 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide is [H]/N=C(\C=C/C=C)N(c1ccc(N(/C(C)=C/C=C\C)c2ccccn2)cc1)c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccn4)c4ccccn4)cc3)cc2)c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccn3)c3ccccn3)cc2)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide?
The InChIKey is LCFFLTCFZLOXEI-XPUBQBBSSA-N. The full InChI is InChI=1S/C32H24N6.C28H22N4.C27H27N5/c1-5-21-33-29(9-1)37(30-10-2-6-22-34-30)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38(31-11-3-7-23-35-31)32-12-4-8-24-36-32;1-3-11-23(12-4-1)31(24-13-5-2-6-14-24)25-17-19-26(20-18-25)32(27-15-7-9-21-29-27)28-16-8-10-22-30-28;1-4-6-12-22(3)31(26-14-8-10-20-29-26)23-16-18-24(19-17-23)32(25(28)13-7-5-2)27-15-9-11-21-30-27/h1-24H;1-22H;4-21,28H,2H2,1,3H3/b;;6-4-,13-7-,22-12+,28-25+.
What are the key properties of 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide?
1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide has a molecular weight of 1328.65 g/mol, XLogP of 22.24, 21 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-4-N,4-N-dipyridin-2-ylbenzene-1,4-diamine;N-[4-[4-(dipyridin-2-ylamino)phenyl]phenyl]-N-pyridin-2-ylpyridin-2-amine;(2Z)-N-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-pyridin-2-ylamino]phenyl]-N-pyridin-2-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 159308382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).