4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C70H50N2 — CID 166876376

About 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 166876376) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 166876376
• Molecular Formula: C70H50N2
• Molecular Weight: 919.18 g/mol
• Exact Mass: 918.40
• IUPAC Name: 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• SMILES: C1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6cccc(-c7cccc8ccccc78)c65)cc4)cc3)cc2)=CCC1
• InChI: InChI=1S/C70H50N2/c1-4-17-49(18-5-1)52-37-43-58(44-38-52)71(59-45-39-53(40-46-59)50-19-6-2-7-20-50)60-47-41-54(42-48-60)51-33-35-57(36-34-51)62-26-12-13-31-67(62)72-68-32-16-27-63(56-21-8-3-9-22-56)69(68)66-30-15-29-65(70(66)72)64-28-14-24-55-23-10-11-25-61(55)64/h1,3-6,8-48H,2,7H2
• InChIKey: GSOLTIZMFZRVMK-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.18
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 166876376) is 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6cccc(-c7ccccc7)c6c6cccc(-c7cccc8ccccc78)c65)cc4)cc3)cc2)=CCC1.

What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is GSOLTIZMFZRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-4-17-49(18-5-1)52-37-43-58(44-38-52)71(59-45-39-53(40-46-59)50-19-6-2-7-20-50)60-47-41-54(42-48-60)51-33-35-57(36-34-51)62-26-12-13-31-67(62)72-68-32-16-27-63(56-21-8-3-9-22-56)69(68)66-30-15-29-65(70(66)72)64-28-14-24-55-23-10-11-25-61(55)64/h1,3-6,8-48H,2,7H2.

What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 919.18 g/mol, XLogP of 19.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166876376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).