5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole

C57H41N5 — CID 175629003

About 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole

5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole (PubChem CID 175629003) has the molecular formula C57H41N5 and a molecular weight of 795.99 g/mol. Its IUPAC name is 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
• PubChem CID: 175629003
• Molecular Formula: C57H41N5
• Molecular Weight: 795.99 g/mol
• Exact Mass: 795.34
• IUPAC Name: 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
• SMILES: C1=CCC(C2=CCC(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccc(-c8ccccc8)cc7)c6cc54)n3)C=C2)C=C1
• InChI: InChI=1S/C57H41N5/c1-4-16-38(17-5-1)40-28-32-42(33-29-40)45-22-10-13-25-50(45)61-51-26-14-11-23-46(51)48-36-49-47-24-12-15-27-52(47)62(54(49)37-53(48)61)57-59-55(43-20-8-3-9-21-43)58-56(60-57)44-34-30-41(31-35-44)39-18-6-2-7-19-39/h1-18,20-34,36-37,39,44H,19,35H2
• InChIKey: QQAZKKKAGHMNBY-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.99
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole?

The IUPAC name of 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole (CID 175629003) is 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole.

What is the SMILES notation for 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole?

The canonical SMILES for 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole is C1=CCC(C2=CCC(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7-c7ccc(-c8ccccc8)cc7)c6cc54)n3)C=C2)C=C1.

What is the InChIKey of 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole?

The InChIKey is QQAZKKKAGHMNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5/c1-4-16-38(17-5-1)40-28-32-42(33-29-40)45-22-10-13-25-50(45)61-51-26-14-11-23-46(51)48-36-49-47-24-12-15-27-52(47)62(54(49)37-53(48)61)57-59-55(43-20-8-3-9-21-43)58-56(60-57)44-34-30-41(31-35-44)39-18-6-2-7-19-39/h1-18,20-34,36-37,39,44H,19,35H2.

What are the key properties of 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole?

5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole has a molecular weight of 795.99 g/mol, XLogP of 14.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 175629003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).