3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole

C36H34N2O2 — CID 163193082

IUPAC3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
SMILESCc1cc2c([nH]c3ccc([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C36H34N2O2/c1-19-15-26-24-17-21(11-12-29(24)37-31(26)23-13-14-35(3,4)39-33(19)23)27-18-36(5,6)40-34-20(2)16-25-22-9-7-8-10-28(22)38-32(25)30(27)34/h7-17,27,37-38H,18H2,1-6H3/t27-/m0/s1
InChIKeyJMWBMEWWLDJTPH-MHZLTWQESA-N
MW526.68 g/mol
LogP9.45
Rot. Bonds1

About 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole

3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole (PubChem CID 163193082) has the molecular formula C36H34N2O2 and a molecular weight of 526.68 g/mol. Its IUPAC name is 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
PubChem CID163193082
Molecular FormulaC36H34N2O2
Molecular Weight526.68 g/mol
Exact Mass526.26
IUPAC Name3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
SMILESCc1cc2c([nH]c3ccc([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cc32)c2c1OC(C)(C)C=C2
InChIInChI=1S/C36H34N2O2/c1-19-15-26-24-17-21(11-12-29(24)37-31(26)23-13-14-35(3,4)39-33(19)23)27-18-36(5,6)40-34-20(2)16-25-22-9-7-8-10-28(22)38-32(25)30(27)34/h7-17,27,37-38H,18H2,1-6H3/t27-/m0/s1
InChIKeyJMWBMEWWLDJTPH-MHZLTWQESA-N
XLogP9.45
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole (CID 163193082) is 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole is Cc1cc2c([nH]c3ccc([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cc32)c2c1OC(C)(C)C=C2.
What is the InChIKey of 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole?
The InChIKey is JMWBMEWWLDJTPH-MHZLTWQESA-N. The full InChI is InChI=1S/C36H34N2O2/c1-19-15-26-24-17-21(11-12-29(24)37-31(26)23-13-14-35(3,4)39-33(19)23)27-18-36(5,6)40-34-20(2)16-25-22-9-7-8-10-28(22)38-32(25)30(27)34/h7-17,27,37-38H,18H2,1-6H3/t27-/m0/s1.
What are the key properties of 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole?
3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole has a molecular weight of 526.68 g/mol, XLogP of 9.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 163193082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).