8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

C30H33NO — CID 162671541

IUPAC8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCc1cccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)c1
InChIInChI=1S/C30H33NO/c1-19-9-8-10-21(15-19)18-31-26-12-11-22(29(3,4)5)17-24(26)25-16-20(2)28-23(27(25)31)13-14-30(6,7)32-28/h8-17H,18H2,1-7H3
InChIKeyUSTGSBUAIQIOBE-UHFFFAOYSA-N
MW423.60 g/mol
LogP7.94
Rot. Bonds2

About 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole

8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (PubChem CID 162671541) has the molecular formula C30H33NO and a molecular weight of 423.60 g/mol. Its IUPAC name is 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
PubChem CID162671541
Molecular FormulaC30H33NO
Molecular Weight423.60 g/mol
Exact Mass423.26
IUPAC Name8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole
SMILESCc1cccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)c1
InChIInChI=1S/C30H33NO/c1-19-9-8-10-21(15-19)18-31-26-12-11-22(29(3,4)5)17-24(26)25-16-20(2)28-23(27(25)31)13-14-30(6,7)32-28/h8-17H,18H2,1-7H3
InChIKeyUSTGSBUAIQIOBE-UHFFFAOYSA-N
XLogP7.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The IUPAC name of 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole (CID 162671541) is 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole.
What is the SMILES notation for 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The canonical SMILES for 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is Cc1cccc(Cn2c3ccc(C(C)(C)C)cc3c3cc(C)c4c(c32)C=CC(C)(C)O4)c1.
What is the InChIKey of 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
The InChIKey is USTGSBUAIQIOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO/c1-19-9-8-10-21(15-19)18-31-26-12-11-22(29(3,4)5)17-24(26)25-16-20(2)28-23(27(25)31)13-14-30(6,7)32-28/h8-17H,18H2,1-7H3.
What are the key properties of 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole?
8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole has a molecular weight of 423.60 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3,3,5-trimethyl-11-[(3-methylphenyl)methyl]pyrano[3,2-a]carbazole is sourced from PubChem (CID 162671541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).