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

C66H46N2 — CID 89378610

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

N-(4-carbazol-9-ylphenyl)-4-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine (PubChem CID 89378610) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[2-methyl-10-(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-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine
• PubChem CID: 89378610
• Molecular Formula: C66H46N2
• Molecular Weight: 867.11 g/mol
• Exact Mass: 866.37
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-4-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine
• SMILES: C=C=CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)c4cc(C)ccc34)cc21
• InChI: InChI=1S/C66H46N2/c1-4-40-66(3)59-27-15-12-21-49(59)50-37-31-44(42-60(50)66)64-54-25-10-11-26-55(54)65(58-41-43(2)30-36-57(58)64)56-38-39-63(51-22-9-8-20-48(51)56)67(45-18-6-5-7-19-45)46-32-34-47(35-33-46)68-61-28-16-13-23-52(61)53-24-14-17-29-62(53)68/h5-42H,1H2,2-3H3
• InChIKey: WEAHQUMLENQWLS-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.11
LogP ≤ 5	17.98
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-[2-methyl-10-(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-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine (CID 89378610) is N-(4-carbazol-9-ylphenyl)-4-[2-methyl-10-(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-[2-methyl-10-(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-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine is C=C=CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)c4cc(C)ccc34)cc21.

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

The InChIKey is WEAHQUMLENQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-40-66(3)59-27-15-12-21-49(59)50-37-31-44(42-60(50)66)64-54-25-10-11-26-55(54)65(58-41-43(2)30-36-57(58)64)56-38-39-63(51-22-9-8-20-48(51)56)67(45-18-6-5-7-19-45)46-32-34-47(35-33-46)68-61-28-16-13-23-52(61)53-24-14-17-29-62(53)68/h5-42H,1H2,2-3H3.

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

N-(4-carbazol-9-ylphenyl)-4-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 867.11 g/mol, XLogP of 17.98, 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-[2-methyl-10-(9-methyl-9-propa-1,2-dienylfluoren-2-yl)anthracen-9-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 89378610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).