11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

C56H34N4O — CID 138513039

IUPAC11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4oc4ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C56H34N4O/c1-3-15-38(16-4-1)59-48-24-12-8-19-40(48)44-33-37(31-32-49(44)59)54-45-34-43(55-53(42-21-9-14-26-51(42)61-55)52(45)41-20-7-10-22-46(41)57-54)35-27-29-36(30-28-35)56-58-47-23-11-13-25-50(47)60(56)39-17-5-2-6-18-39/h1-34H
InChIKeyAODXZUFPYBZKCN-UHFFFAOYSA-N
MW778.92 g/mol
LogP14.72
Rot. Bonds5

About 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene

11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (PubChem CID 138513039) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.

Molecular Properties

Compound Name11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
PubChem CID138513039
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4oc4ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C56H34N4O/c1-3-15-38(16-4-1)59-48-24-12-8-19-40(48)44-33-37(31-32-49(44)59)54-45-34-43(55-53(42-21-9-14-26-51(42)61-55)52(45)41-20-7-10-22-46(41)57-54)35-27-29-36(30-28-35)56-58-47-23-11-13-25-50(47)60(56)39-17-5-2-6-18-39/h1-34H
InChIKeyAODXZUFPYBZKCN-UHFFFAOYSA-N
XLogP14.72
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene with MolForge

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Related Compounds

11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515
14-(9-phenylcarbazol-3-yl)-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513509
11-(1,10-phenanthrolin-5-yl)-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513032
14-(9,9-diphenylfluoren-2-yl)-11-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513036
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086158
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123629
14-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122380
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423

Frequently Asked Questions

What is the IUPAC name of 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The IUPAC name of 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene (CID 138513039) is 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene.
What is the SMILES notation for 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The canonical SMILES for 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is c1ccc(-n2c(-c3ccc(-c4cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc6ccccc6c5c5c4oc4ccccc45)cc3)nc3ccccc32)cc1.
What is the InChIKey of 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
The InChIKey is AODXZUFPYBZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-3-15-38(16-4-1)59-48-24-12-8-19-40(48)44-33-37(31-32-49(44)59)54-45-34-43(55-53(42-21-9-14-26-51(42)61-55)52(45)41-20-7-10-22-46(41)57-54)35-27-29-36(30-28-35)56-58-47-23-11-13-25-50(47)60(56)39-17-5-2-6-18-39/h1-34H.
What are the key properties of 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene?
11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene has a molecular weight of 778.92 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene is sourced from PubChem (CID 138513039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).