6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline

C56H35N — CID 142352549

About 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline

6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline (PubChem CID 142352549) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline
• PubChem CID: 142352549
• Molecular Formula: C56H35N
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.28
• IUPAC Name: 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline
• SMILES: c1ccc(-c2cc3ccc(-c4ccc5cc(-c6ccc7c(c6)C(c6ccccc6)c6c-7c7ccccc7c7ccccc67)ccc5c4)nc3c3ccccc23)cc1
• InChI: InChI=1S/C56H35N/c1-3-13-35(14-4-1)50-34-42-28-30-52(57-56(42)49-22-12-9-19-45(49)50)41-26-25-37-31-38(23-24-39(37)32-41)40-27-29-48-51(33-40)53(36-15-5-2-6-16-36)55-47-21-11-8-18-44(47)43-17-7-10-20-46(43)54(48)55/h1-34,53H
• InChIKey: SCPZRYGCWZQSGD-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline?

The IUPAC name of 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline (CID 142352549) is 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline.

What is the SMILES notation for 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline?

The canonical SMILES for 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline is c1ccc(-c2cc3ccc(-c4ccc5cc(-c6ccc7c(c6)C(c6ccccc6)c6c-7c7ccccc7c7ccccc67)ccc5c4)nc3c3ccccc23)cc1.

What is the InChIKey of 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline?

The InChIKey is SCPZRYGCWZQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-3-13-35(14-4-1)50-34-42-28-30-52(57-56(42)49-22-12-9-19-45(49)50)41-26-25-37-31-38(23-24-39(37)32-41)40-27-29-48-51(33-40)53(36-15-5-2-6-16-36)55-47-21-11-8-18-44(47)43-17-7-10-20-46(43)54(48)55/h1-34,53H.

What are the key properties of 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline?

6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline has a molecular weight of 721.90 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-2-[6-(21-phenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)naphthalen-2-yl]benzo[h]quinoline is sourced from PubChem (CID 142352549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).