4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine

C108H76N10 — CID 163969080

About 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine

4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 163969080) has the molecular formula C108H76N10 and a molecular weight of 1513.87 g/mol. Its IUPAC name is 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
• PubChem CID: 163969080
• Molecular Formula: C108H76N10
• Molecular Weight: 1513.87 g/mol
• Exact Mass: 1512.63
• IUPAC Name: 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3ccc(N(c4ccccc4)c4cccc(-c5cnc6c(c5)cc(-c5ccc(N(c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc5)c5cccnc56)c4)cc3)cc2)cc1
• InChI: InChI=1S/C108H76N10/c1-8-27-84(28-9-1)113(85-29-10-2-11-30-85)93-54-60-96(61-55-93)116(97-62-56-94(57-63-97)114(86-31-12-3-13-32-86)87-33-14-4-15-34-87)91-50-45-77(46-51-91)103-75-82-73-83(76-111-106(82)108-102(103)42-24-72-110-108)81-25-22-41-101(74-81)118(90-39-20-7-21-40-90)100-68-66-99(67-69-100)117(98-64-58-95(59-65-98)115(88-35-16-5-17-36-88)89-37-18-6-19-38-89)92-52-47-78(48-53-92)104-70-49-80-44-43-79-26-23-71-109-105(79)107(80)112-104/h1-76H
• InChIKey: SOKBIJFRVFLRGJ-UHFFFAOYSA-N
• XLogP: 29.70
• TPSA: 71.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1513.87
LogP ≤ 5	29.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?

The IUPAC name of 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine (CID 163969080) is 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?

The canonical SMILES for 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3ccc(N(c4ccccc4)c4cccc(-c5cnc6c(c5)cc(-c5ccc(N(c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc5)c5cccnc56)c4)cc3)cc2)cc1.

What is the InChIKey of 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?

The InChIKey is SOKBIJFRVFLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H76N10/c1-8-27-84(28-9-1)113(85-29-10-2-11-30-85)93-54-60-96(61-55-93)116(97-62-56-94(57-63-97)114(86-31-12-3-13-32-86)87-33-14-4-15-34-87)91-50-45-77(46-51-91)103-75-82-73-83(76-111-106(82)108-102(103)42-24-72-110-108)81-25-22-41-101(74-81)118(90-39-20-7-21-40-90)100-68-66-99(67-69-100)117(98-64-58-95(59-65-98)115(88-35-16-5-17-36-88)89-37-18-6-19-38-89)92-52-47-78(48-53-92)104-70-49-80-44-43-79-26-23-71-109-105(79)107(80)112-104/h1-76H.

What are the key properties of 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine?

4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine has a molecular weight of 1513.87 g/mol, XLogP of 29.70, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 163969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).