9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole

C87H57N5 — CID 177124510

About 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole

9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole (PubChem CID 177124510) has the molecular formula C87H57N5 and a molecular weight of 1172.45 g/mol. Its IUPAC name is 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 177124510
• Molecular Formula: C87H57N5
• Molecular Weight: 1172.45 g/mol
• Exact Mass: 1171.46
• IUPAC Name: 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7)cc6)nc(-c6ccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7)cc6)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C87H57N5/c1-2-18-58(19-3-1)65-20-12-24-69(52-65)70-25-13-21-66(53-70)59-40-46-62(47-41-59)85-88-86(63-48-42-60(43-49-63)67-22-14-26-71(54-67)73-28-16-30-75(56-73)91-81-36-8-4-32-77(81)78-33-5-9-37-82(78)91)90-87(89-85)64-50-44-61(45-51-64)68-23-15-27-72(55-68)74-29-17-31-76(57-74)92-83-38-10-6-34-79(83)80-35-7-11-39-84(80)92/h1-57H
• InChIKey: MDHYJIRPOMXNAG-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.45
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole (CID 177124510) is 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7)cc6)nc(-c6ccc(-c7cccc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7)cc6)n5)cc4)c3)c2)cc1.

What is the InChIKey of 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole?

The InChIKey is MDHYJIRPOMXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H57N5/c1-2-18-58(19-3-1)65-20-12-24-69(52-65)70-25-13-21-66(53-70)59-40-46-62(47-41-59)85-88-86(63-48-42-60(43-49-63)67-22-14-26-71(54-67)73-28-16-30-75(56-73)91-81-36-8-4-32-77(81)78-33-5-9-37-82(78)91)90-87(89-85)64-50-44-61(45-51-64)68-23-15-27-72(55-68)74-29-17-31-76(57-74)92-83-38-10-6-34-79(83)80-35-7-11-39-84(80)92/h1-57H.

What are the key properties of 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole?

9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1172.45 g/mol, XLogP of 22.74, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 177124510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).