(1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine

C51H42N4 — CID 144888530

About (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine

(1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 144888530) has the molecular formula C51H42N4 and a molecular weight of 710.93 g/mol. Its IUPAC name is (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

• Compound Name: (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine
• PubChem CID: 144888530
• Molecular Formula: C51H42N4
• Molecular Weight: 710.93 g/mol
• Exact Mass: 710.34
• IUPAC Name: (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine
• SMILES: C/C(=C\C=C/N)N(c1cc(C2=CC=C3C(C2)c2ccccc2N3c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1)c1cccc2c1CCC=C2
• InChI: InChI=1S/C51H42N4/c1-35(15-14-30-52)53(47-27-13-17-36-16-5-6-20-42(36)47)40-31-38(32-41(34-40)55-48-24-10-7-21-43(48)44-22-8-11-25-49(44)55)37-28-29-51-46(33-37)45-23-9-12-26-50(45)54(51)39-18-3-2-4-19-39/h2-5,7-19,21-32,34,46H,6,20,33,52H2,1H3/b30-14-,35-15+
• InChIKey: UPGIAWQNHYQOCL-YKDDPBLOSA-N
• XLogP: 12.86
• TPSA: 37.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.93
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine?

The IUPAC name of (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine (CID 144888530) is (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine.

What is the SMILES notation for (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine?

The canonical SMILES for (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine is C/C(=C\C=C/N)N(c1cc(C2=CC=C3C(C2)c2ccccc2N3c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1)c1cccc2c1CCC=C2.

What is the InChIKey of (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine?

The InChIKey is UPGIAWQNHYQOCL-YKDDPBLOSA-N. The full InChI is InChI=1S/C51H42N4/c1-35(15-14-30-52)53(47-27-13-17-36-16-5-6-20-42(36)47)40-31-38(32-41(34-40)55-48-24-10-7-21-43(48)44-22-8-11-25-49(44)55)37-28-29-51-46(33-37)45-23-9-12-26-50(45)54(51)39-18-3-2-4-19-39/h2-5,7-19,21-32,34,46H,6,20,33,52H2,1H3/b30-14-,35-15+.

What are the key properties of (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine?

(1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 710.93 g/mol, XLogP of 12.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 144888530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).