N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C68H45NO — CID 174303883

About N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 174303883) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

• Compound Name: N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• PubChem CID: 174303883
• Molecular Formula: C68H45NO
• Molecular Weight: 892.11 g/mol
• Exact Mass: 891.35
• IUPAC Name: N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cc6c7c(cccc7c5)Oc5ccccc5-6)c4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C68H45NO/c1-4-18-47(19-5-1)57-41-38-52(44-62(57)49-22-8-3-9-23-49)46-36-39-55(40-37-46)69(64-33-12-10-29-59(64)61-32-16-25-50-24-15-31-58(67(50)61)48-20-6-2-7-21-48)56-28-14-26-51(43-56)54-42-53-27-17-35-66-68(53)63(45-54)60-30-11-13-34-65(60)70-66/h1-45H
• InChIKey: HXRHLNGHYHTEOL-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.11
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 174303883) is N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cc6c7c(cccc7c5)Oc5ccccc5-6)c4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cc2-c2ccccc2)cc1.

What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

The InChIKey is HXRHLNGHYHTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-4-18-47(19-5-1)57-41-38-52(44-62(57)49-22-8-3-9-23-49)46-36-39-55(40-37-46)69(64-33-12-10-29-59(64)61-32-16-25-50-24-15-31-58(67(50)61)48-20-6-2-7-21-48)56-28-14-26-51(43-56)54-42-53-27-17-35-66-68(53)63(45-54)60-30-11-13-34-65(60)70-66/h1-45H.

What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?

N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 892.11 g/mol, XLogP of 19.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 174303883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).