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

C68H51FN2 — CID 58131667

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

N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 58131667) has the molecular formula C68H51FN2 and a molecular weight of 915.17 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 58131667
• Molecular Formula: C68H51FN2
• Molecular Weight: 915.17 g/mol
• Exact Mass: 914.40
• IUPAC Name: N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c(-c4ccccc4)c(-c4ccccc4)n6-c4ccc(F)cc4)cc3)cc21
• InChI: InChI=1S/C68H51FN2/c1-67(2)60-23-15-14-22-55(60)56-39-37-54(41-62(56)67)70(51-31-24-45(25-32-51)44-16-8-5-9-17-44)52-33-26-46(27-34-52)49-28-38-57-58-42-59-64(43-63(58)68(3,4)61(57)40-49)71(53-35-29-50(69)30-36-53)66(48-20-12-7-13-21-48)65(59)47-18-10-6-11-19-47/h5-43H,1-4H3
• InChIKey: ZQJLDAVNRJNPST-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.17
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 58131667) is N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c(-c4ccccc4)c(-c4ccccc4)n6-c4ccc(F)cc4)cc3)cc21.

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

The InChIKey is ZQJLDAVNRJNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H51FN2/c1-67(2)60-23-15-14-22-55(60)56-39-37-54(41-62(56)67)70(51-31-24-45(25-32-51)44-16-8-5-9-17-44)52-33-26-46(27-34-52)49-28-38-57-58-42-59-64(43-63(58)68(3,4)61(57)40-49)71(53-35-29-50(69)30-36-53)66(48-20-12-7-13-21-48)65(59)47-18-10-6-11-19-47/h5-43H,1-4H3.

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

N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 915.17 g/mol, XLogP of 18.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).