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

C32H30N2O2 — CID 163076406

IUPAC(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c3ccccc3n([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)c12
InChIInChI=1S/C32H30N2O2/c1-18-14-23-21-11-7-9-13-25(21)34(30(23)27(15-18)35-5)26-17-32(3,4)36-31-19(2)16-22-20-10-6-8-12-24(20)33-29(22)28(26)31/h6-16,26,33H,17H2,1-5H3/t26-/m0/s1
InChIKeyPOXYZXVGPKURCV-SANMLTNESA-N
MW474.60 g/mol
LogP8.20
Rot. Bonds2

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

(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (PubChem CID 163076406) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
PubChem CID163076406
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Name(1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c3ccccc3n([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)c12
InChIInChI=1S/C32H30N2O2/c1-18-14-23-21-11-7-9-13-25(21)34(30(23)27(15-18)35-5)26-17-32(3,4)36-31-19(2)16-22-20-10-6-8-12-24(20)33-29(22)28(26)31/h6-16,26,33H,17H2,1-5H3/t26-/m0/s1
InChIKeyPOXYZXVGPKURCV-SANMLTNESA-N
XLogP8.20
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-9-(1-methoxy-9H-carbazol-3-yl)-3-methylcarbazole
CID 14634645
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
CID 102015823
2,2,5-trimethyl-4,11-dihydro-3H-pyrano[2,3-a]carbazole
CID 71327618
(16R,19S,21R)-12,15,15,19-tetramethyl-14-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11-hexaen-19-ol
CID 15286150
(1R,16R,19S)-13,16-dimethyl-19-prop-1-en-2-yl-6-[(1R)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
CID 72946585
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
5-methyl-11H-benzo[a]carbazole
CID 6454977
1-methoxy-9H-carbazole;oxirane
CID 175234481
(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 15705736
(2R,3R,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 146683638
1-heptyl-3-methoxy-2-methyl-9H-carbazole
CID 3071880
7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
CID 84637342

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The IUPAC name of (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole (CID 163076406) is (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole.
What is the SMILES notation for (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The canonical SMILES for (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is COc1cc(C)cc2c3ccccc3n([C@H]3CC(C)(C)Oc4c(C)cc5c([nH]c6ccccc65)c43)c12.
What is the InChIKey of (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
The InChIKey is POXYZXVGPKURCV-SANMLTNESA-N. The full InChI is InChI=1S/C32H30N2O2/c1-18-14-23-21-11-7-9-13-25(21)34(30(23)27(15-18)35-5)26-17-32(3,4)36-31-19(2)16-22-20-10-6-8-12-24(20)33-29(22)28(26)31/h6-16,26,33H,17H2,1-5H3/t26-/m0/s1.
What are the key properties of (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole?
(1S)-1-(1-methoxy-3-methylcarbazol-9-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 8.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methoxy-3-methylcarbazol-9-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 163076406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).