4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C78H52N4 — CID 118901505

About 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 118901505) has the molecular formula C78H52N4 and a molecular weight of 1045.30 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 118901505
• Molecular Formula: C78H52N4
• Molecular Weight: 1045.30 g/mol
• Exact Mass: 1044.42
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C78H52N4/c1-3-18-53(19-4-1)57-20-15-21-58(50-57)54-36-42-62(43-37-54)79(63-44-38-55(39-45-63)59-22-16-26-65(51-59)80-73-32-11-7-28-67(73)68-29-8-12-33-74(68)80)64-46-40-56(41-47-64)60-23-17-27-66(52-60)82-76-35-14-10-31-70(76)72-49-48-71-69-30-9-13-34-75(69)81(77(71)78(72)82)61-24-5-2-6-25-61/h1-52H
• InChIKey: VVGZRPBYEUZNSH-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.30
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 118901505) is 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)cc4)cc3)c2)cc1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The InChIKey is VVGZRPBYEUZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N4/c1-3-18-53(19-4-1)57-20-15-21-58(50-57)54-36-42-62(43-37-54)79(63-44-38-55(39-45-63)59-22-16-26-65(51-59)80-73-32-11-7-28-67(73)68-29-8-12-33-74(68)80)64-46-40-56(41-47-64)60-23-17-27-66(52-60)82-76-35-14-10-31-70(76)72-49-48-71-69-30-9-13-34-75(69)81(77(71)78(72)82)61-24-5-2-6-25-61/h1-52H.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 1045.30 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118901505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).