6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine

C94H62N4 — CID 59010589

About 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine

6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59010589) has the molecular formula C94H62N4 and a molecular weight of 1247.56 g/mol. Its IUPAC name is 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 59010589
• Molecular Formula: C94H62N4
• Molecular Weight: 1247.56 g/mol
• Exact Mass: 1246.50
• IUPAC Name: 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• SMILES: c1ccc(N(c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5cc(-c7cccc8ccccc78)ccc5n6-c5ccccc5)cc4)c4ccccc34)cc2)c2ccc3c(c2)c2cc(-c4cccc5ccccc45)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C94H62N4/c1-5-27-69(28-6-1)95(75-53-57-91-87(61-75)85-59-67(79-41-21-25-63-23-13-15-35-77(63)79)47-55-89(85)97(91)71-31-9-3-10-32-71)73-49-43-65(44-50-73)93-81-37-17-19-39-83(81)94(84-40-20-18-38-82(84)93)66-45-51-74(52-46-66)96(70-29-7-2-8-30-70)76-54-58-92-88(62-76)86-60-68(80-42-22-26-64-24-14-16-36-78(64)80)48-56-90(86)98(92)72-33-11-4-12-34-72/h1-62H
• InChIKey: YGIYHBJJQVLLSA-UHFFFAOYSA-N
• XLogP: 26.10
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1247.56
LogP ≤ 5	26.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 59010589) is 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5cc(-c7cccc8ccccc78)ccc5n6-c5ccccc5)cc4)c4ccccc34)cc2)c2ccc3c(c2)c2cc(-c4cccc5ccccc45)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is YGIYHBJJQVLLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H62N4/c1-5-27-69(28-6-1)95(75-53-57-91-87(61-75)85-59-67(79-41-21-25-63-23-13-15-35-77(63)79)47-55-89(85)97(91)71-31-9-3-10-32-71)73-49-43-65(44-50-73)93-81-37-17-19-39-83(81)94(84-40-20-18-38-82(84)93)66-45-51-74(52-46-66)96(70-29-7-2-8-30-70)76-54-58-92-88(62-76)86-60-68(80-42-22-26-64-24-14-16-36-78(64)80)48-56-90(86)98(92)72-33-11-4-12-34-72/h1-62H.

What are the key properties of 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1247.56 g/mol, XLogP of 26.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59010589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).