10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one

C43H26N2O2 — CID 118248537

IUPAC10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
SMILESO=c1oc2cc3c(cc2c2ccccc12)c1ccc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc1n3-c1ccccc1
InChIInChI=1S/C43H26N2O2/c46-43-35-17-8-7-15-31(35)37-25-36-34-22-20-28(24-40(34)45(30-13-5-2-6-14-30)41(36)26-42(37)47-43)27-19-21-33-32-16-9-10-18-38(32)44(39(33)23-27)29-11-3-1-4-12-29/h1-26H
InChIKeyRNBDJXJYKOVMJF-UHFFFAOYSA-N
MW602.69 g/mol
LogP10.81
Rot. Bonds3

About 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one

10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one (PubChem CID 118248537) has the molecular formula C43H26N2O2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one.

Molecular Properties

Compound Name10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
PubChem CID118248537
Molecular FormulaC43H26N2O2
Molecular Weight602.69 g/mol
Exact Mass602.20
IUPAC Name10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one
SMILESO=c1oc2cc3c(cc2c2ccccc12)c1ccc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc1n3-c1ccccc1
InChIInChI=1S/C43H26N2O2/c46-43-35-17-8-7-15-31(35)37-25-36-34-22-20-28(24-40(34)45(30-13-5-2-6-14-30)41(36)26-42(37)47-43)27-19-21-33-32-16-9-10-18-38(32)44(39(33)23-27)29-11-3-1-4-12-29/h1-26H
InChIKeyRNBDJXJYKOVMJF-UHFFFAOYSA-N
XLogP10.81
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one?
The IUPAC name of 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one (CID 118248537) is 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one.
What is the SMILES notation for 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one?
The canonical SMILES for 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one is O=c1oc2cc3c(cc2c2ccccc12)c1ccc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)cc1n3-c1ccccc1.
What is the InChIKey of 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one?
The InChIKey is RNBDJXJYKOVMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O2/c46-43-35-17-8-7-15-31(35)37-25-36-34-22-20-28(24-40(34)45(30-13-5-2-6-14-30)41(36)26-42(37)47-43)27-19-21-33-32-16-9-10-18-38(32)44(39(33)23-27)29-11-3-1-4-12-29/h1-26H.
What are the key properties of 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one?
10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one has a molecular weight of 602.69 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-(9-phenylcarbazol-2-yl)-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,16,18,20-nonaen-15-one is sourced from PubChem (CID 118248537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).