(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole

C32H30N2O2 — CID 162821237

IUPAC(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc2[nH]c3c([C@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc3c2cc1C
InChIInChI=1S/C32H30N2O2/c1-17-13-22-20-10-8-11-21(29(20)34-26(22)15-27(17)35-5)24-16-32(3,4)36-31-18(2)14-23-19-9-6-7-12-25(19)33-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m1/s1
InChIKeyMGEONGSSSRXMKJ-XMMPIXPASA-N
MW474.60 g/mol
LogP8.27
Rot. Bonds2

About (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole

(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (PubChem CID 162821237) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
PubChem CID162821237
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc2[nH]c3c([C@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc3c2cc1C
InChIInChI=1S/C32H30N2O2/c1-17-13-22-20-10-8-11-21(29(20)34-26(22)15-27(17)35-5)24-16-32(3,4)36-31-18(2)14-23-19-9-6-7-12-25(19)33-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m1/s1
InChIKeyMGEONGSSSRXMKJ-XMMPIXPASA-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 (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The IUPAC name of (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (CID 162821237) is (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.
What is the SMILES notation for (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The canonical SMILES for (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is COc1cc2[nH]c3c([C@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc3c2cc1C.
What is the InChIKey of (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The InChIKey is MGEONGSSSRXMKJ-XMMPIXPASA-N. The full InChI is InChI=1S/C32H30N2O2/c1-17-13-22-20-10-8-11-21(29(20)34-26(22)15-27(17)35-5)24-16-32(3,4)36-31-18(2)14-23-19-9-6-7-12-25(19)33-30(23)28(24)31/h6-15,24,33-34H,16H2,1-5H3/t24-/m1/s1.
What are the key properties of (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-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 (1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 162821237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).