N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C102H66N2 — CID 59307671

About N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 59307671) has the molecular formula C102H66N2 and a molecular weight of 1319.66 g/mol. Its IUPAC name is N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 59307671
• Molecular Formula: C102H66N2
• Molecular Weight: 1319.66 g/mol
• Exact Mass: 1318.52
• IUPAC Name: N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc2c2c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c(-c4ccccc4)cc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c32)cc1
• InChI: InChI=1S/C102H66N2/c1-4-22-67(23-5-1)80-48-58-92-96(64-80)97-65-81(99-90-38-20-18-36-88(90)98(74-30-8-3-9-31-74)89-37-19-21-39-91(89)99)49-59-93(97)102-100(75-46-52-83(53-47-75)104(86-56-42-70-26-12-16-34-78(70)62-86)87-57-43-71-27-13-17-35-79(71)63-87)94(72-28-6-2-7-29-72)66-95(101(92)102)73-44-50-82(51-45-73)103(84-54-40-68-24-10-14-32-76(68)60-84)85-55-41-69-25-11-15-33-77(69)61-85/h1-66H
• InChIKey: BVVKQZZUHNCMGH-UHFFFAOYSA-N
• XLogP: 29.01
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.66
LogP ≤ 5	29.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 59307671) is N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc2c2c(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c(-c4ccccc4)cc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c32)cc1.

What is the InChIKey of N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is BVVKQZZUHNCMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66N2/c1-4-22-67(23-5-1)80-48-58-92-96(64-80)97-65-81(99-90-38-20-18-36-88(90)98(74-30-8-3-9-31-74)89-37-19-21-39-91(89)99)49-59-93(97)102-100(75-46-52-83(53-47-75)104(86-56-42-70-26-12-16-34-78(70)62-86)87-57-43-71-27-13-17-35-79(71)63-87)94(72-28-6-2-7-29-72)66-95(101(92)102)73-44-50-82(51-45-73)103(84-54-40-68-24-10-14-32-76(68)60-84)85-55-41-69-25-11-15-33-77(69)61-85/h1-66H.

What are the key properties of N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 1319.66 g/mol, XLogP of 29.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 59307671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).