N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

C67H54N2 — CID 170304503

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170304503) has the molecular formula C67H54N2 and a molecular weight of 887.18 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• PubChem CID: 170304503
• Molecular Formula: C67H54N2
• Molecular Weight: 887.18 g/mol
• Exact Mass: 886.43
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
• InChI: InChI=1S/C67H54N2/c1-67(2)58-38-13-9-32-56(58)65-55(37-20-39-59(65)67)53-31-11-15-41-61(53)69(60-40-14-10-30-52(60)54-36-19-25-46-24-18-34-50(64(46)54)45-22-5-3-6-23-45)49-29-17-26-47(44-49)51-35-21-43-63-66(51)57-33-12-16-42-62(57)68(63)48-27-7-4-8-28-48/h4,7-21,24-45H,3,5-6,22-23H2,1-2H3
• InChIKey: XWVDSWCJKOZFAR-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.18
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170304503) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The InChIKey is XWVDSWCJKOZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N2/c1-67(2)58-38-13-9-32-56(58)65-55(37-20-39-59(65)67)53-31-11-15-41-61(53)69(60-40-14-10-30-52(60)54-36-19-25-46-24-18-34-50(64(46)54)45-22-5-3-6-23-45)49-29-17-26-47(44-49)51-35-21-43-63-66(51)57-33-12-16-42-62(57)68(63)48-27-7-4-8-28-48/h4,7-21,24-45H,3,5-6,22-23H2,1-2H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline has a molecular weight of 887.18 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170304503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).