2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole

C54H38N2 — CID 145064108

About 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole

2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole (PubChem CID 145064108) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole
• PubChem CID: 145064108
• Molecular Formula: C54H38N2
• Molecular Weight: 714.91 g/mol
• Exact Mass: 714.30
• IUPAC Name: 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole
• SMILES: C/C=C\C(=C/C)c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6ccc7c(c6c5)c5ccccc5n7-c5cccc6ccccc56)ccc4ccc32)cc1
• InChI: InChI=1S/C54H38N2/c1-3-12-35(4-2)36-25-29-42(30-26-36)55-49-18-9-7-16-44(49)53-46-33-40(23-21-38(46)27-31-51(53)55)41-24-22-39-28-32-52-54(47(39)34-41)45-17-8-10-19-50(45)56(52)48-20-11-14-37-13-5-6-15-43(37)48/h3-34H,1-2H3/b12-3-,35-4+
• InChIKey: DQNWIFOALBBXPY-YPPPYMRDSA-N
• XLogP: 14.99
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.91
LogP ≤ 5	14.99
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 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole?

The IUPAC name of 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole (CID 145064108) is 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole.

What is the SMILES notation for 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole?

The canonical SMILES for 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole is C/C=C\C(=C/C)c1ccc(-n2c3ccccc3c3c4cc(-c5ccc6ccc7c(c6c5)c5ccccc5n7-c5cccc6ccccc56)ccc4ccc32)cc1.

What is the InChIKey of 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole?

The InChIKey is DQNWIFOALBBXPY-YPPPYMRDSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-12-35(4-2)36-25-29-42(30-26-36)55-49-18-9-7-16-44(49)53-46-33-40(23-21-38(46)27-31-51(53)55)41-24-22-39-28-32-52-54(47(39)34-41)45-17-8-10-19-50(45)56(52)48-20-11-14-37-13-5-6-15-43(37)48/h3-34H,1-2H3/b12-3-,35-4+.

What are the key properties of 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole?

2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole has a molecular weight of 714.91 g/mol, XLogP of 14.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]benzo[c]carbazol-2-yl]-7-naphthalen-1-ylbenzo[c]carbazole is sourced from PubChem (CID 145064108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).