(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole

C32H30N2O2 — CID 163031712

IUPAC(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c1[nH]c1ccc([C@@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)cc12
InChIInChI=1S/C32H30N2O2/c1-17-12-22-21-15-19(10-11-26(21)33-29(22)27(13-17)35-5)24-16-32(3,4)36-31-18(2)14-23-20-8-6-7-9-25(20)34-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m0/s1
InChIKeyIXBHPXPTTQWXQG-DEOSSOPVSA-N
MW474.60 g/mol
LogP8.27
Rot. Bonds2

About (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole

(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (PubChem CID 163031712) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
PubChem CID163031712
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c1[nH]c1ccc([C@@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)cc12
InChIInChI=1S/C32H30N2O2/c1-17-12-22-21-15-19(10-11-26(21)33-29(22)27(13-17)35-5)24-16-32(3,4)36-31-18(2)14-23-20-8-6-7-9-25(20)34-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m0/s1
InChIKeyIXBHPXPTTQWXQG-DEOSSOPVSA-N
XLogP8.27
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The IUPAC name of (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (CID 163031712) is (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.
What is the SMILES notation for (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The canonical SMILES for (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is COc1cc(C)cc2c1[nH]c1ccc([C@@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)cc12.
What is the InChIKey of (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The InChIKey is IXBHPXPTTQWXQG-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-17-12-22-21-15-19(10-11-26(21)33-29(22)27(13-17)35-5)24-16-32(3,4)36-31-18(2)14-23-20-8-6-7-9-25(20)34-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m0/s1.
What are the key properties of (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
(1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole has a molecular weight of 474.60 g/mol, XLogP of 8.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(8-methoxy-6-methyl-9H-carbazol-3-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 163031712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).