1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine

C66H52N4 — CID 89035334

About 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine

1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine (PubChem CID 89035334) has the molecular formula C66H52N4 and a molecular weight of 901.17 g/mol. Its IUPAC name is 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
• PubChem CID: 89035334
• Molecular Formula: C66H52N4
• Molecular Weight: 901.17 g/mol
• Exact Mass: 900.42
• IUPAC Name: 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
• SMILES: C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CCC(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1
• InChI: InChI=1S/C66H52N4/c1-7-19-51(20-8-1)52-31-37-61(38-32-52)70(66-49-45-64(46-50-66)68(57-25-13-4-14-26-57)58-27-15-5-16-28-58)62-41-35-54(36-42-62)53-33-39-60(40-34-53)69(59-29-17-6-18-30-59)65-47-43-63(44-48-65)67(55-21-9-2-10-22-55)56-23-11-3-12-24-56/h1-33,35-39,41-50H,34,40H2
• InChIKey: FGWGVVOEMHPJKB-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.17
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine?

The IUPAC name of 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine (CID 89035334) is 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine.

What is the SMILES notation for 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine?

The canonical SMILES for 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine is C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CCC(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1.

What is the InChIKey of 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine?

The InChIKey is FGWGVVOEMHPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N4/c1-7-19-51(20-8-1)52-31-37-61(38-32-52)70(66-49-45-64(46-50-66)68(57-25-13-4-14-26-57)58-27-15-5-16-28-58)62-41-35-54(36-42-62)53-33-39-60(40-34-53)69(59-29-17-6-18-30-59)65-47-43-63(44-48-65)67(55-21-9-2-10-22-55)56-23-11-3-12-24-56/h1-33,35-39,41-50H,34,40H2.

What are the key properties of 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine?

1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine has a molecular weight of 901.17 g/mol, XLogP of 18.66, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine is sourced from PubChem (CID 89035334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).