14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide

C61H37N2O3P — CID 164736602

About 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide

14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide (PubChem CID 164736602) has the molecular formula C61H37N2O3P and a molecular weight of 876.95 g/mol. Its IUPAC name is 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide.

Molecular Properties

• Compound Name: 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide
• PubChem CID: 164736602
• Molecular Formula: C61H37N2O3P
• Molecular Weight: 876.95 g/mol
• Exact Mass: 876.25
• IUPAC Name: 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C61H37N2O3P/c64-67(40-19-5-2-6-20-40)57-30-16-11-25-49(57)61(50-36-46-43-23-9-14-28-53(43)65-55(46)37-58(50)67)47-24-10-15-29-54(47)66-56-35-39(31-34-48(56)61)63-52-27-13-8-22-42(52)45-33-32-44-41-21-7-12-26-51(41)62(59(44)60(45)63)38-17-3-1-4-18-38/h1-37H
• InChIKey: KTTFRGZZDKQRER-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 49.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.95
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide?

The IUPAC name of 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide (CID 164736602) is 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide.

What is the SMILES notation for 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide?

The canonical SMILES for 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide?

The InChIKey is KTTFRGZZDKQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N2O3P/c64-67(40-19-5-2-6-20-40)57-30-16-11-25-49(57)61(50-36-46-43-23-9-14-28-53(43)65-55(46)37-58(50)67)47-24-10-15-29-54(47)66-56-35-39(31-34-48(56)61)63-52-27-13-8-22-42(52)45-33-32-44-41-21-7-12-26-51(41)62(59(44)60(45)63)38-17-3-1-4-18-38/h1-37H.

What are the key properties of 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide?

14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide has a molecular weight of 876.95 g/mol, XLogP of 14.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-3'-(11-phenylindolo[2,3-a]carbazol-12-yl)spiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene] 14-oxide is sourced from PubChem (CID 164736602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).