8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

C26H25NO2 — CID 162657916

IUPAC8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3
InChIInChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3
InChIKeyVPLZWUSNSRROEO-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.34
Rot. Bonds3

About 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (PubChem CID 162657916) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
PubChem CID162657916
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3
InChIInChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3
InChIKeyVPLZWUSNSRROEO-UHFFFAOYSA-N
XLogP6.34
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 154257
CID 154257
CID 6433099
CID 6433099
CID 167963
CID 167963
CID 97487
CID 97487
CID 96943
CID 96943
CID 278055
CID 278055
CID 375148
CID 375148
CID 375151
CID 375151
CID 65645
CID 65645
CID 4072580
CID 4072580
CID 53378764
CID 53378764
CID 10670
CID 10670

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The IUPAC name of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (CID 162657916) is 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.
What is the SMILES notation for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The canonical SMILES for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is COc1ccc2c(c1)c1ccc3c(c1n2Cc1cccc(C)c1)C=CC(C)(C)O3.
What is the InChIKey of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The InChIKey is VPLZWUSNSRROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-17-6-5-7-18(14-17)16-27-23-10-8-19(28-4)15-22(23)20-9-11-24-21(25(20)27)12-13-26(2,3)29-24/h5-15H,16H2,1-4H3.
What are the key properties of 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole has a molecular weight of 383.49 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,3-dimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is sourced from PubChem (CID 162657916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).