N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine

C57H40N2 — CID 164774397

About N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine

N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (PubChem CID 164774397) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
• PubChem CID: 164774397
• Molecular Formula: C57H40N2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.32
• IUPAC Name: N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C57H40N2/c1-57(2)51-34-41-18-6-5-17-40(41)33-50(51)47-30-29-45(36-52(47)57)58(43-19-13-20-44(35-43)59-53-24-11-9-22-48(53)49-23-10-12-25-54(49)59)55-31-28-38-15-7-8-21-46(38)56(55)42-27-26-37-14-3-4-16-39(37)32-42/h3-36H,1-2H3
• InChIKey: NHBDBSDJAITEQR-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The IUPAC name of N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (CID 164774397) is N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.

What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The canonical SMILES for N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is CC1(C)c2cc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.

What is the InChIKey of N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The InChIKey is NHBDBSDJAITEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)51-34-41-18-6-5-17-40(41)33-50(51)47-30-29-45(36-52(47)57)58(43-19-13-20-44(35-43)59-53-24-11-9-22-48(53)49-23-10-12-25-54(49)59)55-31-28-38-15-7-8-21-46(38)56(55)42-27-26-37-14-3-4-16-39(37)32-42/h3-36H,1-2H3.

What are the key properties of N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine has a molecular weight of 752.96 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbazol-9-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 164774397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).