(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole

C37H36N2O2 — CID 102058942

IUPAC(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=C[C@@](C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12
InChIInChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3/t37-/m1/s1
InChIKeyWZDZCOAWFXDCTD-DIPNUNPCSA-N
MW540.71 g/mol
LogP9.71
Rot. Bonds6

About (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole

(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole (PubChem CID 102058942) has the molecular formula C37H36N2O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
PubChem CID102058942
Molecular FormulaC37H36N2O2
Molecular Weight540.71 g/mol
Exact Mass540.28
IUPAC Name(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
SMILESCOc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=C[C@@](C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12
InChIInChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3/t37-/m1/s1
InChIKeyWZDZCOAWFXDCTD-DIPNUNPCSA-N
XLogP9.71
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Mahanimbine
CID 167963
8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
CID 97487
Girinimbine
CID 96943
Mahanimbicine
CID 4072580
Carbazole Violet
CID 61387
(3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 37888682
3,3'-(2-(2-Methoxyphenoxy)ethylazanediyl)bis(1-(9H-carbazol-4-yloxy)propan-2-ol)
CID 20631713
C.I. Pigment Violet 23
CID 11845128
Mukonicine
CID 86242003
Murrastifoline F
CID 10432278
YM-75440
CID 11372147
2-[[(2R)-2-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yl]oxy]ethanamine
CID 12148615

Frequently Asked Questions

What is the IUPAC name of (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The IUPAC name of (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole (CID 102058942) is (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole.
What is the SMILES notation for (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The canonical SMILES for (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole is COc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=C[C@@](C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12.
What is the InChIKey of (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The InChIKey is WZDZCOAWFXDCTD-DIPNUNPCSA-N. The full InChI is InChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3/t37-/m1/s1.
What are the key properties of (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
(3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole has a molecular weight of 540.71 g/mol, XLogP of 9.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole is sourced from PubChem (CID 102058942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).