9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole

C66H52N2 — CID 126590424

About 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole

9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole (PubChem CID 126590424) has the molecular formula C66H52N2 and a molecular weight of 873.16 g/mol. Its IUPAC name is 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole.

Molecular Properties

• Compound Name: 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole
• PubChem CID: 126590424
• Molecular Formula: C66H52N2
• Molecular Weight: 873.16 g/mol
• Exact Mass: 872.41
• IUPAC Name: 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole
• SMILES: C1=CC2c3cc(-c4ccc(-c5ccc6c(c5)c5cc([C@@H](c7ccccc7)C(c7ccccc7)c7ccccc7)ccc5n6C5C=c6ccccc6=CC5)cc4)ccc3N(c3ccccc3)C2CC1
• InChI: InChI=1S/C66H52N2/c1-5-18-48(19-6-1)65(49-20-7-2-8-21-49)66(50-22-9-3-10-23-50)54-36-40-64-60(44-54)59-43-53(35-39-63(59)68(64)56-37-33-45-17-13-14-24-51(45)41-56)47-31-29-46(30-32-47)52-34-38-62-58(42-52)57-27-15-16-28-61(57)67(62)55-25-11-4-12-26-55/h1-15,17-27,29-36,38-44,56-57,61,65-66H,16,28,37H2/t56?,57?,61?,66-/m1/s1
• InChIKey: DVXMLWDYZXLVFQ-XHXBRFOHSA-N
• XLogP: 15.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.16
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole?

The IUPAC name of 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole (CID 126590424) is 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole.

What is the SMILES notation for 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole?

The canonical SMILES for 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole is C1=CC2c3cc(-c4ccc(-c5ccc6c(c5)c5cc([C@@H](c7ccccc7)C(c7ccccc7)c7ccccc7)ccc5n6C5C=c6ccccc6=CC5)cc4)ccc3N(c3ccccc3)C2CC1.

What is the InChIKey of 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole?

The InChIKey is DVXMLWDYZXLVFQ-XHXBRFOHSA-N. The full InChI is InChI=1S/C66H52N2/c1-5-18-48(19-6-1)65(49-20-7-2-8-21-49)66(50-22-9-3-10-23-50)54-36-40-64-60(44-54)59-43-53(35-39-63(59)68(64)56-37-33-45-17-13-14-24-51(45)41-56)47-31-29-46(30-32-47)52-34-38-62-58(42-52)57-27-15-16-28-61(57)67(62)55-25-11-4-12-26-55/h1-15,17-27,29-36,38-44,56-57,61,65-66H,16,28,37H2/t56?,57?,61?,66-/m1/s1.

What are the key properties of 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole?

9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole has a molecular weight of 873.16 g/mol, XLogP of 15.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole is sourced from PubChem (CID 126590424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).