N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C69H50N2 — CID 170297449

About N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170297449) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 170297449
• Molecular Formula: C69H50N2
• Molecular Weight: 907.17 g/mol
• Exact Mass: 906.40
• IUPAC Name: N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: CC1C=CC(n2c3ccccc3c3c(-c4cccc(N(c5cc(-c6cccc7ccccc67)ccc5-c5ccccc5)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)c4)cccc32)=CC1
• InChI: InChI=1S/C69H50N2/c1-47-39-42-54(43-40-47)70-65-37-13-11-31-63(65)69-60(34-18-38-66(69)70)52-27-14-28-55(45-52)71(64-36-12-10-30-61(64)62-35-17-26-51-25-16-33-59(68(51)62)50-21-6-3-7-22-50)67-46-53(41-44-58(67)49-19-4-2-5-20-49)57-32-15-24-48-23-8-9-29-56(48)57/h2-39,41-47H,40H2,1H3
• InChIKey: SUGUVCJYUPYMOW-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.17
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170297449) is N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1C=CC(n2c3ccccc3c3c(-c4cccc(N(c5cc(-c6cccc7ccccc67)ccc5-c5ccccc5)c5ccccc5-c5cccc6cccc(-c7ccccc7)c56)c4)cccc32)=CC1.

What is the InChIKey of N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is SUGUVCJYUPYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-47-39-42-54(43-40-47)70-65-37-13-11-31-63(65)69-60(34-18-38-66(69)70)52-27-14-28-55(45-52)71(64-36-12-10-30-61(64)62-35-17-26-51-25-16-33-59(68(51)62)50-21-6-3-7-22-50)67-46-53(41-44-58(67)49-19-4-2-5-20-49)57-32-15-24-48-23-8-9-29-56(48)57/h2-39,41-47H,40H2,1H3.

What are the key properties of N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 907.17 g/mol, XLogP of 19.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170297449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).