3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

C47H35N — CID 146568610

About 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole

3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (PubChem CID 146568610) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
• PubChem CID: 146568610
• Molecular Formula: C47H35N
• Molecular Weight: 613.80 g/mol
• Exact Mass: 613.28
• IUPAC Name: 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
• SMILES: C1=Cc2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2CC1
• InChI: InChI=1S/C47H35N/c1-3-11-33(12-4-1)35-19-24-37(25-20-35)47(41-28-23-34-13-7-8-14-39(34)31-41)38-26-21-36(22-27-38)40-29-30-46-44(32-40)43-17-9-10-18-45(43)48(46)42-15-5-2-6-16-42/h1-7,9-13,15-32,47H,8,14H2
• InChIKey: MVMYCBKRIBPRDJ-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.80
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?

The IUPAC name of 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole (CID 146568610) is 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is C1=Cc2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2CC1.

What is the InChIKey of 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?

The InChIKey is MVMYCBKRIBPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-3-11-33(12-4-1)35-19-24-37(25-20-35)47(41-28-23-34-13-7-8-14-39(34)31-41)38-26-21-36(22-27-38)40-29-30-46-44(32-40)43-17-9-10-18-45(43)48(46)42-15-5-2-6-16-42/h1-7,9-13,15-32,47H,8,14H2.

What are the key properties of 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole?

3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole has a molecular weight of 613.80 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[7,8-dihydronaphthalen-2-yl-(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146568610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).