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

C72H56N2 — CID 170304489

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170304489) 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-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• PubChem CID: 170304489
• 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-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• SMILES: CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc21
• InChI: InChI=1S/C72H56N2/c1-72(54-26-7-3-8-27-54)65-37-14-11-31-60(65)61-46-43-52(48-66(61)72)49-41-44-56(45-42-49)73(67-38-15-12-32-62(67)63-36-19-24-51-23-18-34-58(70(51)63)50-21-5-2-6-22-50)57-30-17-25-53(47-57)59-35-20-40-69-71(59)64-33-13-16-39-68(64)74(69)55-28-9-4-10-29-55/h3-4,7-20,23-48,50H,2,5-6,21-22H2,1H3
• InChIKey: HSAFDPCLRBQOLI-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-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170304489) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

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

The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)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-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

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

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

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-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-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170304489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).