3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole

C33H37N — CID 172627203

IUPAC3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c4c(c3c2)CC(C)(c2ccc(C(C)(C)C)cc2)C=C4)cc1
InChIInChI=1S/C33H37N/c1-31(2,3)24-11-8-22(9-12-24)23-10-17-29-27(20-23)28-21-33(7,19-18-30(28)34-29)26-15-13-25(14-16-26)32(4,5)6/h8-20,34H,21H2,1-7H3
InChIKeyLJHWZDHTCIZJRW-UHFFFAOYSA-N
MW447.67 g/mol
LogP8.96
Rot. Bonds2

About 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole

3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole (PubChem CID 172627203) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole.

Molecular Properties

Compound Name3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole
PubChem CID172627203
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC Name3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c4c(c3c2)CC(C)(c2ccc(C(C)(C)C)cc2)C=C4)cc1
InChIInChI=1S/C33H37N/c1-31(2,3)24-11-8-22(9-12-24)23-10-17-29-27(20-23)28-21-33(7,19-18-30(28)34-29)26-15-13-25(14-16-26)32(4,5)6/h8-20,34H,21H2,1-7H3
InChIKeyLJHWZDHTCIZJRW-UHFFFAOYSA-N
XLogP8.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole?
The IUPAC name of 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole (CID 172627203) is 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole.
What is the SMILES notation for 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole?
The canonical SMILES for 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole is CC(C)(C)c1ccc(-c2ccc3[nH]c4c(c3c2)CC(C)(c2ccc(C(C)(C)C)cc2)C=C4)cc1.
What is the InChIKey of 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole?
The InChIKey is LJHWZDHTCIZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-31(2,3)24-11-8-22(9-12-24)23-10-17-29-27(20-23)28-21-33(7,19-18-30(28)34-29)26-15-13-25(14-16-26)32(4,5)6/h8-20,34H,21H2,1-7H3.
What are the key properties of 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole?
3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole has a molecular weight of 447.67 g/mol, XLogP of 8.96, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-tert-butylphenyl)-3-methyl-4,9-dihydrocarbazole is sourced from PubChem (CID 172627203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).