9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C52H42N2 — CID 139551277

About 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 139551277) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 139551277
• Molecular Formula: C52H42N2
• Molecular Weight: 694.92 g/mol
• Exact Mass: 694.33
• IUPAC Name: 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: CC1C=C(c2ccccc2)C=CC1N(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C52H42N2/c1-35-32-38(36-14-6-4-7-15-36)24-30-49(35)53(42-28-29-44-43-18-10-12-20-47(43)52(2,3)48(44)34-42)41-26-22-37(23-27-41)39-25-31-51-46(33-39)45-19-11-13-21-50(45)54(51)40-16-8-5-9-17-40/h4-35,49H,1-3H3
• InChIKey: ZLPCIUIZYVIRRZ-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.92
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 139551277) is 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1C=C(c2ccccc2)C=CC1N(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is ZLPCIUIZYVIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-35-32-38(36-14-6-4-7-15-36)24-30-49(35)53(42-28-29-44-43-18-10-12-20-47(43)52(2,3)48(44)34-42)41-26-22-37(23-27-41)39-25-31-51-46(33-39)45-19-11-13-21-50(45)54(51)40-16-8-5-9-17-40/h4-35,49H,1-3H3.

What are the key properties of 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 694.92 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 139551277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).