(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine

C48H37N — CID 142296330

About (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine

(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine (PubChem CID 142296330) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
• PubChem CID: 142296330
• Molecular Formula: C48H37N
• Molecular Weight: 627.83 g/mol
• Exact Mass: 627.29
• IUPAC Name: (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
• SMILES: N/C(=C\C(=C/Cc1ccccc1)c1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1)c1ccccc1
• InChI: InChI=1S/C48H37N/c49-47(37-17-6-2-7-18-37)34-40(28-27-35-15-4-1-5-16-35)39-20-14-19-38(33-39)36-29-31-42(32-30-36)48(41-21-8-3-9-22-41)45-25-12-10-23-43(45)44-24-11-13-26-46(44)48/h1-26,28-34H,27,49H2/b40-28+,47-34-
• InChIKey: FSHDHIFBKYFWES-KLCDRLKLSA-N
• XLogP: 11.34
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.83
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine?

The IUPAC name of (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine (CID 142296330) is (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine.

What is the SMILES notation for (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine?

The canonical SMILES for (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine is N/C(=C\C(=C/Cc1ccccc1)c1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1)c1ccccc1.

What is the InChIKey of (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine?

The InChIKey is FSHDHIFBKYFWES-KLCDRLKLSA-N. The full InChI is InChI=1S/C48H37N/c49-47(37-17-6-2-7-18-37)34-40(28-27-35-15-4-1-5-16-35)39-20-14-19-38(33-39)36-29-31-42(32-30-36)48(41-21-8-3-9-22-41)45-25-12-10-23-43(45)44-24-11-13-26-46(44)48/h1-26,28-34H,27,49H2/b40-28+,47-34-.

What are the key properties of (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine?

(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine has a molecular weight of 627.83 g/mol, XLogP of 11.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 142296330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).