7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole

C62H46N4 — CID 131998839

About 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole

7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole (PubChem CID 131998839) has the molecular formula C62H46N4 and a molecular weight of 847.08 g/mol. Its IUPAC name is 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
• PubChem CID: 131998839
• Molecular Formula: C62H46N4
• Molecular Weight: 847.08 g/mol
• Exact Mass: 846.37
• IUPAC Name: 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
• SMILES: CC1(C)C(c2ccccc2)=Cc2ccc3nc(-n4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6N7c6ccccc6)cc5c5c6ccccc6ccc54)nc(-c4ccccc4)c3c21
• InChI: InChI=1S/C62H46N4/c1-61(2)48-26-16-17-27-53(48)65(45-23-12-7-13-24-45)54-34-31-43(37-50(54)61)42-30-33-52-47(36-42)56-46-25-15-14-18-39(46)29-35-55(56)66(52)60-63-51-32-28-44-38-49(40-19-8-5-9-20-40)62(3,4)58(44)57(51)59(64-60)41-21-10-6-11-22-41/h5-38H,1-4H3
• InChIKey: PIENEUXZQFZVNQ-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.08
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole?

The IUPAC name of 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole (CID 131998839) is 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole.

What is the SMILES notation for 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole?

The canonical SMILES for 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole is CC1(C)C(c2ccccc2)=Cc2ccc3nc(-n4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6N7c6ccccc6)cc5c5c6ccccc6ccc54)nc(-c4ccccc4)c3c21.

What is the InChIKey of 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole?

The InChIKey is PIENEUXZQFZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4/c1-61(2)48-26-16-17-27-53(48)65(45-23-12-7-13-24-45)54-34-31-43(37-50(54)61)42-30-33-52-47(36-42)56-46-25-15-14-18-39(46)29-35-55(56)66(52)60-63-51-32-28-44-38-49(40-19-8-5-9-20-40)62(3,4)58(44)57(51)59(64-60)41-21-10-6-11-22-41/h5-38H,1-4H3.

What are the key properties of 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole?

7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole has a molecular weight of 847.08 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 131998839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).