4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline

C56H35N — CID 129302449

About 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline

4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline (PubChem CID 129302449) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline.

Molecular Properties

• Compound Name: 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
• PubChem CID: 129302449
• Molecular Formula: C56H35N
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.28
• IUPAC Name: 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
• SMILES: C1=C=C(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc8ccccc78)cc6)cc5c4)cc32)C=CC=1
• InChI: InChI=1S/C56H35N/c1-4-14-41(15-5-1)55-37-51(50-21-11-13-23-54(50)57-55)40-28-24-38(25-29-40)42-30-26-39-27-31-43(35-45(39)34-42)44-32-33-49-48-20-10-12-22-52(48)56(53(49)36-44,46-16-6-2-7-17-46)47-18-8-3-9-19-47/h1-8,10-18,20-37H
• InChIKey: MWBMWBFOEWSVDQ-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline?

The IUPAC name of 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline (CID 129302449) is 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline.

What is the SMILES notation for 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline?

The canonical SMILES for 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline is C1=C=C(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc8ccccc78)cc6)cc5c4)cc32)C=CC=1.

What is the InChIKey of 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline?

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

What are the key properties of 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline?

4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline has a molecular weight of 721.90 g/mol, XLogP of 14.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline is sourced from PubChem (CID 129302449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).