N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine

C58H46N2 — CID 126548497

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine (PubChem CID 126548497) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine
• PubChem CID: 126548497
• Molecular Formula: C58H46N2
• Molecular Weight: 771.02 g/mol
• Exact Mass: 770.37
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine
• SMILES: C=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2c1ccnc2N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C58H46N2/c1-5-19-43(20-6-2)58(44-23-11-8-12-24-44)51-29-17-14-27-49(51)55-52(58)37-38-59-56(55)60(54-30-18-15-25-46(54)41-21-9-7-10-22-41)45-34-31-40(32-35-45)42-33-36-48-47-26-13-16-28-50(47)57(3,4)53(48)39-42/h5-39H,1H2,2-4H3/b20-6-,43-19+
• InChIKey: KEHKLENFJQRFCC-RLIXVVFYSA-N
• XLogP: 15.19
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.02
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine (CID 126548497) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine is C=C/C=C(\C=C/C)C1(c2ccccc2)c2ccccc2-c2c1ccnc2N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccccc1-c1ccccc1.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine?

The InChIKey is KEHKLENFJQRFCC-RLIXVVFYSA-N. The full InChI is InChI=1S/C58H46N2/c1-5-19-43(20-6-2)58(44-23-11-8-12-24-44)51-29-17-14-27-49(51)55-52(58)37-38-59-56(55)60(54-30-18-15-25-46(54)41-21-9-7-10-22-41)45-34-31-40(32-35-45)42-33-36-48-47-26-13-16-28-50(47)57(3,4)53(48)39-42/h5-39H,1H2,2-4H3/b20-6-,43-19+.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine has a molecular weight of 771.02 g/mol, XLogP of 15.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-N-(2-phenylphenyl)indeno[1,2-c]pyridin-1-amine is sourced from PubChem (CID 126548497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).