N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

C69H51N — CID 170303745

About N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170303745) has the molecular formula C69H51N and a molecular weight of 894.17 g/mol. Its IUPAC name is N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170303745
• Molecular Formula: C69H51N
• Molecular Weight: 894.17 g/mol
• Exact Mass: 893.40
• IUPAC Name: N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
• SMILES: c1ccc(C2(c3cc4cc-4c3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1
• InChI: InChI=1S/C69H51N/c1-3-17-47(18-4-1)59-29-14-21-50-22-15-31-62(67(50)59)61-26-10-12-34-66(61)70(55-39-35-48(36-40-55)58-28-13-20-46-19-7-8-25-57(46)58)56-41-37-49(38-42-56)60-30-16-33-65-68(60)63-27-9-11-32-64(63)69(65,53-23-5-2-6-24-53)54-44-51-43-52(51)45-54/h2,5-16,19-45,47H,1,3-4,17-18H2
• InChIKey: FQNVFHHQNXKXBI-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.17
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The IUPAC name of N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline (CID 170303745) is N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(C2(c3cc4cc-4c3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5-c5cccc6cccc(C7CCCCC7)c56)cc4)cccc32)cc1.

What is the InChIKey of N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

The InChIKey is FQNVFHHQNXKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51N/c1-3-17-47(18-4-1)59-29-14-21-50-22-15-31-62(67(50)59)61-26-10-12-34-66(61)70(55-39-35-48(36-40-55)58-28-13-20-46-19-7-8-25-57(46)58)56-41-37-49(38-42-56)60-30-16-33-65-68(60)63-27-9-11-32-64(63)69(65,53-23-5-2-6-24-53)54-44-51-43-52(51)45-54/h2,5-16,19-45,47H,1,3-4,17-18H2.

What are the key properties of N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline?

N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 894.17 g/mol, XLogP of 18.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-(3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylfluoren-4-yl]phenyl]-2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170303745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).