5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole

C73H44N6 — CID 89272660

About 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole

5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole (PubChem CID 89272660) has the molecular formula C73H44N6 and a molecular weight of 1005.20 g/mol. Its IUPAC name is 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole
• PubChem CID: 89272660
• Molecular Formula: C73H44N6
• Molecular Weight: 1005.20 g/mol
• Exact Mass: 1004.36
• IUPAC Name: 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4c5ccccc5c(-c5ccc6[nH]c7ccccc7c6c5)c5ccccc45)c4ccccc34)n2)cc1
• InChI: InChI=1S/C73H44N6/c1-3-21-44(22-4-1)71-75-72(45-23-5-2-6-24-45)77-73(76-71)68-52-30-9-13-34-56(52)70(57-35-14-10-31-53(57)68)79-64-38-20-17-27-49(64)60-42-65-59(43-66(60)79)48-26-16-19-37-63(48)78(65)69-54-32-11-7-28-50(54)67(51-29-8-12-33-55(51)69)46-39-40-62-58(41-46)47-25-15-18-36-61(47)74-62/h1-43,74H
• InChIKey: PKMBWQYYCKRXPG-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.20
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole?

The IUPAC name of 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole (CID 89272660) is 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole?

The canonical SMILES for 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4c5ccccc5c(-c5ccc6[nH]c7ccccc7c6c5)c5ccccc45)c4ccccc34)n2)cc1.

What is the InChIKey of 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole?

The InChIKey is PKMBWQYYCKRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N6/c1-3-21-44(22-4-1)71-75-72(45-23-5-2-6-24-45)77-73(76-71)68-52-30-9-13-34-56(52)70(57-35-14-10-31-53(57)68)79-64-38-20-17-27-49(64)60-42-65-59(43-66(60)79)48-26-16-19-37-63(48)78(65)69-54-32-11-7-28-50(54)67(51-29-8-12-33-55(51)69)46-39-40-62-58(41-46)47-25-15-18-36-61(47)74-62/h1-43,74H.

What are the key properties of 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole?

5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole has a molecular weight of 1005.20 g/mol, XLogP of 18.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-(9H-carbazol-3-yl)anthracen-9-yl]-11-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 89272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).