N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine

C65H44N2 — CID 89378609

About N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine

N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine (PubChem CID 89378609) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine
• PubChem CID: 89378609
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine
• SMILES: C=C=C[C@]1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C65H44N2/c1-3-41-65(2)58-30-16-13-22-48(58)49-38-33-43(42-59(49)65)63-53-26-9-11-28-55(53)64(56-29-12-10-27-54(56)63)57-39-40-62(50-23-8-7-21-47(50)57)66(44-19-5-4-6-20-44)45-34-36-46(37-35-45)67-60-31-17-14-24-51(60)52-25-15-18-32-61(52)67/h4-42H,1H2,2H3/t65-/m1/s1
• InChIKey: BMRYCQFDFOQZJF-IDKUVDLHSA-N
• XLogP: 17.67
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	17.67
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-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine (CID 89378609) is N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine is C=C=C[C@]1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)c4ccccc34)cc21.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine?

The InChIKey is BMRYCQFDFOQZJF-IDKUVDLHSA-N. The full InChI is InChI=1S/C65H44N2/c1-3-41-65(2)58-30-16-13-22-48(58)49-38-33-43(42-59(49)65)63-53-26-9-11-28-55(53)64(56-29-12-10-27-54(56)63)57-39-40-62(50-23-8-7-21-47(50)57)66(44-19-5-4-6-20-44)45-34-36-46(37-35-45)67-60-31-17-14-24-51(60)52-25-15-18-32-61(52)67/h4-42H,1H2,2H3/t65-/m1/s1.

What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine?

N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 853.08 g/mol, XLogP of 17.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-4-[10-[(9R)-9-methyl-9-propa-1,2-dienylfluoren-2-yl]anthracen-9-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 89378609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).