8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole

C30H33NO2 — CID 162663016

IUPAC8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)cc1
InChIInChI=1S/C30H33NO2/c1-19-16-25-24-17-21(29(2,3)4)10-13-26(24)31(18-20-8-11-22(32-7)12-9-20)27(25)23-14-15-30(5,6)33-28(19)23/h8-17H,18H2,1-7H3
InChIKeyCYHYKISWPFQGRT-UHFFFAOYSA-N
MW439.60 g/mol
LogP7.64
Rot. Bonds3

About 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole

8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole (PubChem CID 162663016) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole.

Molecular Properties

Compound Name8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole
PubChem CID162663016
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)cc1
InChIInChI=1S/C30H33NO2/c1-19-16-25-24-17-21(29(2,3)4)10-13-26(24)31(18-20-8-11-22(32-7)12-9-20)27(25)23-14-15-30(5,6)33-28(19)23/h8-17H,18H2,1-7H3
InChIKeyCYHYKISWPFQGRT-UHFFFAOYSA-N
XLogP7.64
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole?
The IUPAC name of 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole (CID 162663016) is 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole.
What is the SMILES notation for 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole?
The canonical SMILES for 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole is COc1ccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)cc1.
What is the InChIKey of 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole?
The InChIKey is CYHYKISWPFQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO2/c1-19-16-25-24-17-21(29(2,3)4)10-13-26(24)31(18-20-8-11-22(32-7)12-9-20)27(25)23-14-15-30(5,6)33-28(19)23/h8-17H,18H2,1-7H3.
What are the key properties of 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole?
8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole has a molecular weight of 439.60 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-11-[(4-methoxyphenyl)methyl]-3,3,5-trimethylpyrano[3,2-a]carbazole is sourced from PubChem (CID 162663016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).