7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine

C61H46N2 — CID 90085892

About 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine (PubChem CID 90085892) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 90085892
• Molecular Formula: C61H46N2
• Molecular Weight: 807.05 g/mol
• Exact Mass: 806.37
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(C4=CC=CC(c5ccccc5)C4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C61H46N2/c1-61(2)57-39-51(32-34-53(57)54-35-33-52(40-58(54)61)63-59-24-10-8-22-55(59)56-23-9-11-25-60(56)63)62(49-30-28-43(29-31-49)48-27-26-42-16-6-7-17-44(42)37-48)50-21-13-20-47(38-50)46-19-12-18-45(36-46)41-14-4-3-5-15-41/h3-35,37-40,45H,36H2,1-2H3
• InChIKey: UHYJJVIIDDJVKP-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.05
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine (CID 90085892) is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(C4=CC=CC(c5ccccc5)C4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine?

The InChIKey is UHYJJVIIDDJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2/c1-61(2)57-39-51(32-34-53(57)54-35-33-52(40-58(54)61)63-59-24-10-8-22-55(59)56-23-9-11-25-60(56)63)62(49-30-28-43(29-31-49)48-27-26-42-16-6-7-17-44(42)37-48)50-21-13-20-47(38-50)46-19-12-18-45(36-46)41-14-4-3-5-15-41/h3-35,37-40,45H,36H2,1-2H3.

What are the key properties of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine?

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine has a molecular weight of 807.05 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-(5-phenylcyclohexa-1,3-dien-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 90085892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).