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

C55H33N3O — CID 138513515

IUPAC11,14-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5c5c4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C55H33N3O/c1-3-15-36(16-4-1)57-47-24-12-8-19-38(47)43-31-34(27-29-49(43)57)42-33-45-52(53-41-22-10-14-26-51(41)59-55(42)53)40-21-7-11-23-46(40)56-54(45)35-28-30-50-44(32-35)39-20-9-13-25-48(39)58(50)37-17-5-2-6-18-37/h1-33H
InChIKeyGQXVUNFXFFOSLL-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.82
Rot. Bonds4

About 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

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 (PubChem CID 138513515) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,14-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
PubChem CID138513515
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name11,14-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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5c5c4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C55H33N3O/c1-3-15-36(16-4-1)57-47-24-12-8-19-38(47)43-31-34(27-29-49(43)57)42-33-45-52(53-41-22-10-14-26-51(41)59-55(42)53)40-21-7-11-23-46(40)56-54(45)35-28-30-50-44(32-35)39-20-9-13-25-48(39)58(50)37-17-5-2-6-18-37/h1-33H
InChIKeyGQXVUNFXFFOSLL-UHFFFAOYSA-N
XLogP14.82
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246805
24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 126702233
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
14-(9,9-dimethylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-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;14-(9,9-diphenylfluoren-2-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-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;14-(9-phenylcarbazol-3-yl)-11-[3-(9-phenylcarbazol-3-yl)carbazol-9-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 157175600

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5c5c4cc(-c4ccc6c(c4)c4ccccc4n6-c4ccccc4)c4oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is GQXVUNFXFFOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-3-15-36(16-4-1)57-47-24-12-8-19-38(47)43-31-34(27-29-49(43)57)42-33-45-52(53-41-22-10-14-26-51(41)59-55(42)53)40-21-7-11-23-46(40)56-54(45)35-28-30-50-44(32-35)39-20-9-13-25-48(39)58(50)37-17-5-2-6-18-37/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 751.89 g/mol, XLogP of 14.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138513515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).