N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine

C86H58N2 — CID 143399100

About N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine

N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine (PubChem CID 143399100) has the molecular formula C86H58N2 and a molecular weight of 1119.42 g/mol. Its IUPAC name is N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine.

Molecular Properties

• Compound Name: N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine
• PubChem CID: 143399100
• Molecular Formula: C86H58N2
• Molecular Weight: 1119.42 g/mol
• Exact Mass: 1118.46
• IUPAC Name: N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine
• SMILES: C1=CC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2)=CCC1
• InChI: InChI=1S/C86H58N2/c1-4-25-57(26-5-1)65-33-12-14-36-68(65)60-47-53-81-79(55-60)80-56-61(69-37-15-13-34-66(69)58-27-6-2-7-28-58)48-54-82(80)88(81)64-51-49-63(50-52-64)87(62-31-8-3-9-32-62)86-77-44-22-20-42-75(77)85(76-43-21-23-45-78(76)86)84-73-40-18-16-38-71(73)83(72-39-17-19-41-74(72)84)70-46-24-30-59-29-10-11-35-67(59)70/h1,3-6,8-56H,2,7H2
• InChIKey: SNFHAYIQLOSZAT-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.42
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine?

The IUPAC name of N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine (CID 143399100) is N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine.

What is the SMILES notation for N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine?

The canonical SMILES for N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine is C1=CC(c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cc2)=CCC1.

What is the InChIKey of N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine?

The InChIKey is SNFHAYIQLOSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H58N2/c1-4-25-57(26-5-1)65-33-12-14-36-68(65)60-47-53-81-79(55-60)80-56-61(69-37-15-13-34-66(69)58-27-6-2-7-28-58)48-54-82(80)88(81)64-51-49-63(50-52-64)87(62-31-8-3-9-32-62)86-77-44-22-20-42-75(77)85(76-43-21-23-45-78(76)86)84-73-40-18-16-38-71(73)83(72-39-17-19-41-74(72)84)70-46-24-30-59-29-10-11-35-67(59)70/h1,3-6,8-56H,2,7H2.

What are the key properties of N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine?

N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine has a molecular weight of 1119.42 g/mol, XLogP of 24.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2-cyclohexa-1,5-dien-1-ylphenyl)-6-(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-1-ylanthracen-9-yl)-N-phenylanthracen-9-amine is sourced from PubChem (CID 143399100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).