4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine

C69H49FN2 — CID 58131708

About 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine

4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine (PubChem CID 58131708) has the molecular formula C69H49FN2 and a molecular weight of 925.16 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 58131708
• Molecular Formula: C69H49FN2
• Molecular Weight: 925.16 g/mol
• Exact Mass: 924.39
• IUPAC Name: 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21
• InChI: InChI=1S/C69H49FN2/c1-69(2)63-43-52(31-40-59(63)61-44-62-66(45-64(61)69)72(56-38-32-53(70)33-39-56)68(51-23-13-6-14-24-51)67(62)50-21-11-5-12-22-50)57-41-42-65(60-26-16-15-25-58(57)60)71(54-34-27-48(28-35-54)46-17-7-3-8-18-46)55-36-29-49(30-37-55)47-19-9-4-10-20-47/h3-45H,1-2H3
• InChIKey: BLHCEBHSTRJNOB-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.16
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine (CID 58131708) is 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(F)cc4)c3cc21.

What is the InChIKey of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is BLHCEBHSTRJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49FN2/c1-69(2)63-43-52(31-40-59(63)61-44-62-66(45-64(61)69)72(56-38-32-53(70)33-39-56)68(51-23-13-6-14-24-51)67(62)50-21-11-5-12-22-50)57-41-42-65(60-26-16-15-25-58(57)60)71(54-34-27-48(28-35-54)46-17-7-3-8-18-46)55-36-29-49(30-37-55)47-19-9-4-10-20-47/h3-45H,1-2H3.

What are the key properties of 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?

4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 925.16 g/mol, XLogP of 19.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 58131708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).