7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione

C34H21NO3 — CID 164758629

IUPAC7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)C(=O)c3cc5oc6ccccc6c(=O)c5cc3-4)c12
InChIInChI=1S/C34H21NO3/c1-18-7-5-10-22-23-11-6-8-19(2)32(23)35(31(18)22)20-13-14-21-25-16-28-30(17-27(25)34(37)26(21)15-20)38-29-12-4-3-9-24(29)33(28)36/h3-17H,1-2H3
InChIKeyZOBBUERLODTXRS-UHFFFAOYSA-N
MW491.55 g/mol
LogP7.87
Rot. Bonds1

About 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione

7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione (PubChem CID 164758629) has the molecular formula C34H21NO3 and a molecular weight of 491.55 g/mol. Its IUPAC name is 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione.

Molecular Properties

Compound Name7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione
PubChem CID164758629
Molecular FormulaC34H21NO3
Molecular Weight491.55 g/mol
Exact Mass491.15
IUPAC Name7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione
SMILESCc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)C(=O)c3cc5oc6ccccc6c(=O)c5cc3-4)c12
InChIInChI=1S/C34H21NO3/c1-18-7-5-10-22-23-11-6-8-19(2)32(23)35(31(18)22)20-13-14-21-25-16-28-30(17-27(25)34(37)26(21)15-20)38-29-12-4-3-9-24(29)33(28)36/h3-17H,1-2H3
InChIKeyZOBBUERLODTXRS-UHFFFAOYSA-N
XLogP7.87
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione with MolForge

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Related Compounds

2-[4-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377162
3-[3-(1,8-dimethylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377193
6-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,3-diphenylxanthen-9-one
CID 165377171
3-[4-(1,8-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylxanthen-9-one
CID 165377258
11,16-di(carbazol-9-yl)-30-oxa-3-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,24,26,28,31-pentadecaen-23-one
CID 134428472
6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one
CID 134428388
2-[4-(1,8-diphenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 165377181
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-6-phenylxanthen-9-one
CID 146175877
9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
CID 164850101
3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
CID 165377177
16,25-dimethyl-17,24-bis(2-methylphenyl)-5,36-dioxanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,37-octadecaene
CID 146383193

Frequently Asked Questions

What is the IUPAC name of 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione?
The IUPAC name of 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione (CID 164758629) is 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione.
What is the SMILES notation for 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione?
The canonical SMILES for 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione is Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)C(=O)c3cc5oc6ccccc6c(=O)c5cc3-4)c12.
What is the InChIKey of 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione?
The InChIKey is ZOBBUERLODTXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NO3/c1-18-7-5-10-22-23-11-6-8-19(2)32(23)35(31(18)22)20-13-14-21-25-16-28-30(17-27(25)34(37)26(21)15-20)38-29-12-4-3-9-24(29)33(28)36/h3-17H,1-2H3.
What are the key properties of 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione?
7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione has a molecular weight of 491.55 g/mol, XLogP of 7.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,8-dimethylcarbazol-9-yl)-14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaene-10,21-dione is sourced from PubChem (CID 164758629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).