9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene

C56H34N2 — CID 166584583

IUPAC9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
SMILESc1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1
InChIInChI=1S/C56H34N2/c1-3-15-35(16-4-1)55-54-44(31-32-52-53(54)45-22-10-14-26-51(45)58(52)38-17-5-2-6-18-38)43-30-28-37(34-50(43)57-55)36-27-29-42-41-21-9-13-25-48(41)56(49(42)33-36)46-23-11-7-19-39(46)40-20-8-12-24-47(40)56/h1-34H
InChIKeyDSNBNMGKYVIDDC-UHFFFAOYSA-N
MW734.90 g/mol
LogP14.16
Rot. Bonds3

About 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene

9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene (PubChem CID 166584583) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene.

Molecular Properties

Compound Name9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
PubChem CID166584583
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
SMILESc1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1
InChIInChI=1S/C56H34N2/c1-3-15-35(16-4-1)55-54-44(31-32-52-53(54)45-22-10-14-26-51(45)58(52)38-17-5-2-6-18-38)43-30-28-37(34-50(43)57-55)36-27-29-42-41-21-9-13-25-48(41)56(49(42)33-36)46-23-11-7-19-39(46)40-20-8-12-24-47(40)56/h1-34H
InChIKeyDSNBNMGKYVIDDC-UHFFFAOYSA-N
XLogP14.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene with MolForge

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Related Compounds

9,14-diphenyl-18-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584451
17-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 147474251
17-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 149267202
N,9,9-triphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
CID 129123678
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 118507817
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 164723972
4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123195279
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584665

Frequently Asked Questions

What is the IUPAC name of 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The IUPAC name of 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene (CID 166584583) is 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene.
What is the SMILES notation for 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The canonical SMILES for 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene is c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c23)cc1.
What is the InChIKey of 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The InChIKey is DSNBNMGKYVIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-3-15-35(16-4-1)55-54-44(31-32-52-53(54)45-22-10-14-26-51(45)58(52)38-17-5-2-6-18-38)43-30-28-37(34-50(43)57-55)36-27-29-42-41-21-9-13-25-48(41)56(49(42)33-36)46-23-11-7-19-39(46)40-20-8-12-24-47(40)56/h1-34H.
What are the key properties of 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene has a molecular weight of 734.90 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-diphenyl-17-(9,9'-spirobi[fluorene]-2-yl)-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 166584583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).