9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

C52H42N2 — CID 137484612

About 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 137484612) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• PubChem CID: 137484612
• Molecular Formula: C52H42N2
• Molecular Weight: 694.92 g/mol
• Exact Mass: 694.33
• IUPAC Name: 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
• SMILES: CC1(c2ccccc2)C=CC(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1
• InChI: InChI=1S/C52H42N2/c1-51(2)47-20-12-10-18-43(47)44-28-27-42(35-48(44)51)53(41-30-32-52(3,33-31-41)38-14-6-4-7-15-38)40-25-22-36(23-26-40)37-24-29-50-46(34-37)45-19-11-13-21-49(45)54(50)39-16-8-5-9-17-39/h4-32,34-35H,33H2,1-3H3
• InChIKey: GLBUYBMGXDLRCT-UHFFFAOYSA-N
• XLogP: 13.70
• 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	13.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine (CID 137484612) is 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is CC1(c2ccccc2)C=CC(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1.

What is the InChIKey of 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

The InChIKey is GLBUYBMGXDLRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-51(2)47-20-12-10-18-43(47)44-28-27-42(35-48(44)51)53(41-30-32-52(3,33-31-41)38-14-6-4-7-15-38)40-25-22-36(23-26-40)37-24-29-50-46(34-37)45-19-11-13-21-49(45)54(50)39-16-8-5-9-17-39/h4-32,34-35H,33H2,1-3H3.

What are the key properties of 9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 694.92 g/mol, XLogP of 13.70, 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-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 137484612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).