N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

C68H52N2 — CID 170297926

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170297926) has the molecular formula C68H52N2 and a molecular weight of 897.18 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
• PubChem CID: 170297926
• Molecular Formula: C68H52N2
• Molecular Weight: 897.18 g/mol
• Exact Mass: 896.41
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
• InChI: InChI=1S/C68H52N2/c1-4-19-49(20-5-1)58-43-40-53(57-32-16-24-48-23-10-11-29-56(48)57)46-66(58)70(65-36-15-13-31-61(65)63-34-18-26-51-25-17-33-59(68(51)63)50-21-6-2-7-22-50)55-41-37-47(38-42-55)52-39-44-62-60-30-12-14-35-64(60)69(67(62)45-52)54-27-8-3-9-28-54/h1,3-5,8-20,23-46,50H,2,6-7,21-22H2
• InChIKey: HYQPFFYWOWCWGG-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.18
LogP ≤ 5	19.28
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]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170297926) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?

The InChIKey is HYQPFFYWOWCWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N2/c1-4-19-49(20-5-1)58-43-40-53(57-32-16-24-48-23-10-11-29-56(48)57)46-66(58)70(65-36-15-13-31-61(65)63-34-18-26-51-25-17-33-59(68(51)63)50-21-6-2-7-22-50)55-41-37-47(38-42-55)52-39-44-62-60-30-12-14-35-64(60)69(67(62)45-52)54-27-8-3-9-28-54/h1,3-5,8-20,23-46,50H,2,6-7,21-22H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 897.18 g/mol, XLogP of 19.28, 9 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]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).