10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

C36H32N2O4 — CID 14892683

IUPAC10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
SMILESCc1cc2c([nH]c3cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)OC(C)(C)C=C6)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C36H32N2O4/c1-17-13-23-19-7-8-27(39)29(32(19)38-31(23)21-10-12-36(5,6)42-34(17)21)25-15-22-24-14-18(2)33-20(9-11-35(3,4)41-33)30(24)37-26(22)16-28(25)40/h7-16,37-40H,1-6H3
InChIKeyITJCJDBEVJGKLH-UHFFFAOYSA-N
MW556.66 g/mol
LogP9.02
Rot. Bonds1

About 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol (PubChem CID 14892683) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol.

Molecular Properties

Compound Name10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
PubChem CID14892683
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC Name10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
SMILESCc1cc2c([nH]c3cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)OC(C)(C)C=C6)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C36H32N2O4/c1-17-13-23-19-7-8-27(39)29(32(19)38-31(23)21-10-12-36(5,6)42-34(17)21)25-15-22-24-14-18(2)33-20(9-11-35(3,4)41-33)30(24)37-26(22)16-28(25)40/h7-16,37-40H,1-6H3
InChIKeyITJCJDBEVJGKLH-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 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The IUPAC name of 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol (CID 14892683) is 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol.
What is the SMILES notation for 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The canonical SMILES for 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol is Cc1cc2c([nH]c3cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)OC(C)(C)C=C6)cc32)c2c1OC(C)(C)C=C2.
What is the InChIKey of 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
The InChIKey is ITJCJDBEVJGKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c1-17-13-23-19-7-8-27(39)29(32(19)38-31(23)21-10-12-36(5,6)42-34(17)21)25-15-22-24-14-18(2)33-20(9-11-35(3,4)41-33)30(24)37-26(22)16-28(25)40/h7-16,37-40H,1-6H3.
What are the key properties of 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol?
10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-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 10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol is sourced from PubChem (CID 14892683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).