7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol

C36H32N2O4 — CID 162960163

IUPAC7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
SMILESCc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c(-c2c(O)c(C)cc3[nH]c4c5c(ccc4c23)OC(C)(C)C=C5)c1O
InChIInChI=1S/C36H32N2O4/c1-17-15-22-27-19-11-13-35(3,4)41-25(19)10-8-23(27)37-32(22)30(34(17)40)29-28-21-7-9-26-20(12-14-36(5,6)42-26)31(21)38-24(28)16-18(2)33(29)39/h7-16,37-40H,1-6H3
InChIKeyOVICAAMRDFNGHT-UHFFFAOYSA-N
MW556.66 g/mol
LogP9.02
Rot. Bonds1

About 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol

7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol (PubChem CID 162960163) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol.

Molecular Properties

Compound Name7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
PubChem CID162960163
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC Name7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
SMILESCc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c(-c2c(O)c(C)cc3[nH]c4c5c(ccc4c23)OC(C)(C)C=C5)c1O
InChIInChI=1S/C36H32N2O4/c1-17-15-22-27-19-11-13-35(3,4)41-25(19)10-8-23(27)37-32(22)30(34(17)40)29-28-21-7-9-26-20(12-14-36(5,6)42-26)31(21)38-24(28)16-18(2)33(29)39/h7-16,37-40H,1-6H3
InChIKeyOVICAAMRDFNGHT-UHFFFAOYSA-N
XLogP9.02
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 59.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The IUPAC name of 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol (CID 162960163) is 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol.
What is the SMILES notation for 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The canonical SMILES for 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol is Cc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c(-c2c(O)c(C)cc3[nH]c4c5c(ccc4c23)OC(C)(C)C=C5)c1O.
What is the InChIKey of 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
The InChIKey is OVICAAMRDFNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c1-17-15-22-27-19-11-13-35(3,4)41-25(19)10-8-23(27)37-32(22)30(34(17)40)29-28-21-7-9-26-20(12-14-36(5,6)42-26)31(21)38-24(28)16-18(2)33(29)39/h7-16,37-40H,1-6H3.
What are the key properties of 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol?
7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol has a molecular weight of 556.66 g/mol, XLogP of 9.02, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol is sourced from PubChem (CID 162960163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).