2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline

C78H62N2 — CID 170304544

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline (PubChem CID 170304544) has the molecular formula C78H62N2 and a molecular weight of 1027.37 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline
• PubChem CID: 170304544
• Molecular Formula: C78H62N2
• Molecular Weight: 1027.37 g/mol
• Exact Mass: 1026.49
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline
• SMILES: CC1C=CC=C(n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)C1
• InChI: InChI=1S/C78H62N2/c1-53-23-19-32-61(51-53)80-75-44-18-14-36-67(75)70-40-22-39-69(77(70)80)66-35-13-17-43-74(66)79(73-42-16-12-34-65(73)68-38-21-27-56-26-20-37-62(76(56)68)55-24-5-2-6-25-55)60-48-45-54(46-49-60)57-47-50-64-63-33-11-15-41-71(63)78(72(64)52-57,58-28-7-3-8-29-58)59-30-9-4-10-31-59/h3-4,7-23,26-50,52-53,55H,2,5-6,24-25,51H2,1H3
• InChIKey: GIRYPPSAYAMVJF-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.37
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline (CID 170304544) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline.

What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline?

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline is CC1C=CC=C(n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)C1.

What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline?

The InChIKey is GIRYPPSAYAMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N2/c1-53-23-19-32-61(51-53)80-75-44-18-14-36-67(75)70-40-22-39-69(77(70)80)66-35-13-17-43-74(66)79(73-42-16-12-34-65(73)68-38-21-27-56-26-20-37-62(76(56)68)55-24-5-2-6-25-55)60-48-45-54(46-49-60)57-47-50-64-63-33-11-15-41-71(63)78(72(64)52-57,58-28-7-3-8-29-58)59-30-9-4-10-31-59/h3-4,7-23,26-50,52-53,55H,2,5-6,24-25,51H2,1H3.

What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline?

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline has a molecular weight of 1027.37 g/mol, XLogP of 21.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[9-(5-methylcyclohexa-1,3-dien-1-yl)carbazol-1-yl]phenyl]aniline is sourced from PubChem (CID 170304544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).