5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole

C32H28N2O2 — CID 14138123

IUPAC5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c3ccccc3n(Cc3cc4c([nH]c5ccccc54)c4c3OC(C)(C)C=C4)c12
InChIInChI=1S/C32H28N2O2/c1-19-15-25-22-10-6-8-12-27(22)34(30(25)28(16-19)35-4)18-20-17-24-21-9-5-7-11-26(21)33-29(24)23-13-14-32(2,3)36-31(20)23/h5-17,33H,18H2,1-4H3
InChIKeyQSZIMAAXHHUNJX-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.98
Rot. Bonds3

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

5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole (PubChem CID 14138123) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
PubChem CID14138123
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)cc2c3ccccc3n(Cc3cc4c([nH]c5ccccc54)c4c3OC(C)(C)C=C4)c12
InChIInChI=1S/C32H28N2O2/c1-19-15-25-22-10-6-8-12-27(22)34(30(25)28(16-19)35-4)18-20-17-24-21-9-5-7-11-26(21)33-29(24)23-13-14-32(2,3)36-31(20)23/h5-17,33H,18H2,1-4H3
InChIKeyQSZIMAAXHHUNJX-UHFFFAOYSA-N
XLogP7.98
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
C.I. Pigment Violet 23
CID 11845128
Mukonicine
CID 86242003
Murrastifoline F
CID 10432278
1-allyl-2-(3-(isopropylamino)propoxy)-9H-carbazole
CID 9949081
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 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole (CID 14138123) is 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole is COc1cc(C)cc2c3ccccc3n(Cc3cc4c([nH]c5ccccc54)c4c3OC(C)(C)C=C4)c12.
What is the InChIKey of 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The InChIKey is QSZIMAAXHHUNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-19-15-25-22-10-6-8-12-27(22)34(30(25)28(16-19)35-4)18-20-17-24-21-9-5-7-11-26(21)33-29(24)23-13-14-32(2,3)36-31(20)23/h5-17,33H,18H2,1-4H3.
What are the key properties of 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole has a molecular weight of 472.59 g/mol, XLogP of 7.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 14138123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).