11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene

C62H43N2OP — CID 144939096

About 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene

11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene (PubChem CID 144939096) has the molecular formula C62H43N2OP and a molecular weight of 863.01 g/mol. Its IUPAC name is 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene
• PubChem CID: 144939096
• Molecular Formula: C62H43N2OP
• Molecular Weight: 863.01 g/mol
• Exact Mass: 862.31
• IUPAC Name: 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)[C@]1(c3cc(-c4ccc(-c5ccc6c(c5)-n5c(nc7ccccc75)C5CC=CC=C65)cc4)ccc3-2)c2ccccc2C2C=CC=CC21
• InChI: InChI=1S/C62H43N2OP/c65-66(44-15-3-1-4-16-44,45-17-5-2-6-18-45)46-33-36-51-50-34-31-42(37-56(50)62(57(51)39-46)54-23-11-9-20-48(54)49-21-10-12-24-55(49)62)40-27-29-41(30-28-40)43-32-35-52-47-19-7-8-22-53(47)61-63-58-25-13-14-26-59(58)64(61)60(52)38-43/h1-21,23-39,48,53-54H,22H2/t48?,53?,54?,62-/m0/s1
• InChIKey: BPJUFYBYQMQDCJ-CWDCSFNJSA-N
• XLogP: 13.59
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.01
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene?

The IUPAC name of 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene (CID 144939096) is 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene.

What is the SMILES notation for 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene?

The canonical SMILES for 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)[C@]1(c3cc(-c4ccc(-c5ccc6c(c5)-n5c(nc7ccccc75)C5CC=CC=C65)cc4)ccc3-2)c2ccccc2C2C=CC=CC21.

What is the InChIKey of 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene?

The InChIKey is BPJUFYBYQMQDCJ-CWDCSFNJSA-N. The full InChI is InChI=1S/C62H43N2OP/c65-66(44-15-3-1-4-16-44,45-17-5-2-6-18-45)46-33-36-51-50-34-31-42(37-56(50)62(57(51)39-46)54-23-11-9-20-48(54)49-21-10-12-24-55(49)62)40-27-29-41(30-28-40)43-32-35-52-47-19-7-8-22-53(47)61-63-58-25-13-14-26-59(58)64(61)60(52)38-43/h1-21,23-39,48,53-54H,22H2/t48?,53?,54?,62-/m0/s1.

What are the key properties of 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene?

11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene has a molecular weight of 863.01 g/mol, XLogP of 13.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[(9S)-7'-diphenylphosphorylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),4,6,8(13),9,11,15,17,19-nonaene is sourced from PubChem (CID 144939096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).