N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine

C91H60N4 — CID 59010583

About N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine

N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59010583) has the molecular formula C91H60N4 and a molecular weight of 1209.51 g/mol. Its IUPAC name is N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 59010583
• Molecular Formula: C91H60N4
• Molecular Weight: 1209.51 g/mol
• Exact Mass: 1208.48
• IUPAC Name: N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine
• SMILES: Cc1ccc2c(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c2c1
• InChI: InChI=1S/C91H60N4/c1-59-50-53-74-81(56-59)89(88-72-42-18-22-46-77(72)91(78-47-23-19-43-73(78)88)93(61-30-8-3-9-31-61)65-52-55-85-80(58-65)67-37-25-27-49-83(67)95(85)63-34-12-5-13-35-63)69-39-15-14-38-68(69)86(74)87-70-40-16-20-44-75(70)90(76-45-21-17-41-71(76)87)92(60-28-6-2-7-29-60)64-51-54-84-79(57-64)66-36-24-26-48-82(66)94(84)62-32-10-4-11-33-62/h2-58H,1H3
• InChIKey: PDEUJNFDPFHNBC-UHFFFAOYSA-N
• XLogP: 25.38
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1209.51
LogP ≤ 5	25.38
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 N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine (CID 59010583) is N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine is Cc1ccc2c(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)c2c1.

What is the InChIKey of N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is PDEUJNFDPFHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H60N4/c1-59-50-53-74-81(56-59)89(88-72-42-18-22-46-77(72)91(78-47-23-19-43-73(78)88)93(61-30-8-3-9-31-61)65-52-55-85-80(58-65)67-37-25-27-49-83(67)95(85)63-34-12-5-13-35-63)69-39-15-14-38-68(69)86(74)87-70-40-16-20-44-75(70)90(76-45-21-17-41-71(76)87)92(60-28-6-2-7-29-60)64-51-54-84-79(57-64)66-36-24-26-48-82(66)94(84)62-32-10-4-11-33-62/h2-58H,1H3.

What are the key properties of N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine?

N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1209.51 g/mol, XLogP of 25.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[10-[3-methyl-10-[10-(N-(9-phenylcarbazol-3-yl)anilino)anthracen-9-yl]anthracen-9-yl]anthracen-9-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59010583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).