1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine

C76H47N11O2S — CID 141387522

About 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine

1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine (PubChem CID 141387522) has the molecular formula C76H47N11O2S and a molecular weight of 1178.35 g/mol. Its IUPAC name is 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine.

Molecular Properties

• Compound Name: 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine
• PubChem CID: 141387522
• Molecular Formula: C76H47N11O2S
• Molecular Weight: 1178.35 g/mol
• Exact Mass: 1177.36
• IUPAC Name: 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine
• SMILES: c1ccc2c(c1)Nc1c(cccc1C1=C(c3cccc4c3Nc3ccccc3S4)C(C3c4ccccc4Oc4ccccc43)C(c3ncc4ccccc4n3)(c3ncc4[nH]cnc4n3)C(c3cnc4ccccc4n3)=C1c1cccc3c1[nH]c1ccccc13)O2
• InChI: InChI=1S/C76H47N11O2S/c1-5-26-50-42(18-1)38-78-74(86-50)76(75-79-40-57-73(87-75)81-41-80-57)68(56-39-77-52-28-7-8-29-53(52)82-56)66(48-23-15-22-44-43-19-2-6-27-51(43)83-70(44)48)65(47-24-16-35-61-71(47)84-54-30-9-13-34-60(54)89-61)67(49-25-17-37-63-72(49)85-55-31-10-14-36-62(55)90-63)69(76)64-45-20-3-11-32-58(45)88-59-33-12-4-21-46(59)64/h1-41,64,69,83-85H,(H,79,80,81,87)
• InChIKey: DRYVKDGFKIXYCT-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 164.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.35
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine?

The IUPAC name of 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine (CID 141387522) is 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine.

What is the SMILES notation for 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine?

The canonical SMILES for 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1c(cccc1C1=C(c3cccc4c3Nc3ccccc3S4)C(C3c4ccccc4Oc4ccccc43)C(c3ncc4ccccc4n3)(c3ncc4[nH]cnc4n3)C(c3cnc4ccccc4n3)=C1c1cccc3c1[nH]c1ccccc13)O2.

What is the InChIKey of 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine?

The InChIKey is DRYVKDGFKIXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47N11O2S/c1-5-26-50-42(18-1)38-78-74(86-50)76(75-79-40-57-73(87-75)81-41-80-57)68(56-39-77-52-28-7-8-29-53(52)82-56)66(48-23-15-22-44-43-19-2-6-27-51(43)83-70(44)48)65(47-24-16-35-61-71(47)84-54-30-9-13-34-60(54)89-61)67(49-25-17-37-63-72(49)85-55-31-10-14-36-62(55)90-63)69(76)64-45-20-3-11-32-58(45)88-59-33-12-4-21-46(59)64/h1-41,64,69,83-85H,(H,79,80,81,87).

What are the key properties of 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine?

1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine has a molecular weight of 1178.35 g/mol, XLogP of 18.01, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine is sourced from PubChem (CID 141387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).