2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

C72H56N2 — CID 170304496

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170304496) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
• PubChem CID: 170304496
• Molecular Formula: C72H56N2
• Molecular Weight: 949.25 g/mol
• Exact Mass: 948.44
• IUPAC Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
• SMILES: CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
• InChI: InChI=1S/C72H56N2/c1-72(54-24-7-3-8-25-54)66-35-14-11-28-60(66)61-47-42-53(48-67(61)72)49-38-43-56(44-39-49)73(68-36-15-12-29-62(68)64-33-18-23-52-22-17-31-58(70(52)64)50-20-5-2-6-21-50)57-45-40-51(41-46-57)59-32-19-34-65-63-30-13-16-37-69(63)74(71(59)65)55-26-9-4-10-27-55/h3-4,7-19,22-48,50H,2,5-6,20-21H2,1H3
• InChIKey: QACKYXXUMYUNJK-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.25
LogP ≤ 5	19.79
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-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170304496) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.

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

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21.

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

The InChIKey is QACKYXXUMYUNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-72(54-24-7-3-8-25-54)66-35-14-11-28-60(66)61-47-42-53(48-67(61)72)49-38-43-56(44-39-49)73(68-36-15-12-29-62(68)64-33-18-23-52-22-17-31-58(70(52)64)50-20-5-2-6-21-50)57-45-40-51(41-46-57)59-32-19-34-65-63-30-13-16-37-69(63)74(71(59)65)55-26-9-4-10-27-55/h3-4,7-19,22-48,50H,2,5-6,20-21H2,1H3.

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 949.25 g/mol, XLogP of 19.79, 9 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-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170304496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).