3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole

C52H37N — CID 59245208

About 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole

3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole (PubChem CID 59245208) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 59245208
• Molecular Formula: C52H37N
• Molecular Weight: 675.88 g/mol
• Exact Mass: 675.29
• IUPAC Name: 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
• SMILES: c1cc2c(c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8ccccc78)ccc65)cc4)c4ccccc34)c1)CCCC2
• InChI: InChI=1S/C52H37N/c1-3-17-39-34(13-1)15-11-24-41(39)37-29-32-50-48(33-37)42-19-9-10-26-49(42)53(50)38-30-27-36(28-31-38)51-44-20-5-7-22-46(44)52(47-23-8-6-21-45(47)51)43-25-12-16-35-14-2-4-18-40(35)43/h1,3,5-13,15-17,19-33H,2,4,14,18H2
• InChIKey: PSDSPZGEQQRSPZ-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.88
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole (CID 59245208) is 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole is c1cc2c(c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8ccccc78)ccc65)cc4)c4ccccc34)c1)CCCC2.

What is the InChIKey of 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The InChIKey is PSDSPZGEQQRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-3-17-39-34(13-1)15-11-24-41(39)37-29-32-50-48(33-37)42-19-9-10-26-49(42)53(50)38-30-27-36(28-31-38)51-44-20-5-7-22-46(44)52(47-23-8-6-21-45(47)51)43-25-12-16-35-14-2-4-18-40(35)43/h1,3,5-13,15-17,19-33H,2,4,14,18H2.

What are the key properties of 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 675.88 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 59245208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).