9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole

C51H37N — CID 89139288

About 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole

9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole (PubChem CID 89139288) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
• PubChem CID: 89139288
• Molecular Formula: C51H37N
• Molecular Weight: 663.86 g/mol
• Exact Mass: 663.29
• IUPAC Name: 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
• SMILES: CC1(C)C2=C(CCC=C2)c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
• InChI: InChI=1S/C51H37N/c1-51(2)45-20-10-7-15-37(45)43-31-36(26-28-46(43)51)49-40-18-5-6-19-41(40)50(52-47-21-11-8-16-38(47)39-17-9-12-22-48(39)52)42-27-25-35(30-44(42)49)34-24-23-32-13-3-4-14-33(32)29-34/h3-6,8-14,16-31H,7,15H2,1-2H3
• InChIKey: JDJQVSPFFGWLDU-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.86
LogP ≤ 5	13.97
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 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole?

The IUPAC name of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole (CID 89139288) is 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole.

What is the SMILES notation for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole?

The canonical SMILES for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole is CC1(C)C2=C(CCC=C2)c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21.

What is the InChIKey of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole?

The InChIKey is JDJQVSPFFGWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)45-20-10-7-15-37(45)43-31-36(26-28-46(43)51)49-40-18-5-6-19-41(40)50(52-47-21-11-8-16-38(47)39-17-9-12-22-48(39)52)42-27-25-35(30-44(42)49)34-24-23-32-13-3-4-14-33(32)29-34/h3-6,8-14,16-31H,7,15H2,1-2H3.

What are the key properties of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole?

9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole has a molecular weight of 663.86 g/mol, XLogP of 13.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole is sourced from PubChem (CID 89139288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).