3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole

C29H27N — CID 175035545

IUPAC3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
SMILESCCCc1cc(-c2ccc(C)cc2)cc2c1[nH]c1ccc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C29H27N/c1-4-5-24-16-25(22-12-8-20(3)9-13-22)18-27-26-17-23(14-15-28(26)30-29(24)27)21-10-6-19(2)7-11-21/h6-18,30H,4-5H2,1-3H3
InChIKeyZAVGRXSMJMVFCQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP8.22
Rot. Bonds4

About 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole

3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole (PubChem CID 175035545) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
PubChem CID175035545
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
SMILESCCCc1cc(-c2ccc(C)cc2)cc2c1[nH]c1ccc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C29H27N/c1-4-5-24-16-25(22-12-8-20(3)9-13-22)18-27-26-17-23(14-15-28(26)30-29(24)27)21-10-6-19(2)7-11-21/h6-18,30H,4-5H2,1-3H3
InChIKeyZAVGRXSMJMVFCQ-UHFFFAOYSA-N
XLogP8.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 58.22
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-methylphenyl)-1-propyl-9H-carbazole?
The IUPAC name of 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole (CID 175035545) is 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole?
The canonical SMILES for 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole is CCCc1cc(-c2ccc(C)cc2)cc2c1[nH]c1ccc(-c3ccc(C)cc3)cc12.
What is the InChIKey of 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole?
The InChIKey is ZAVGRXSMJMVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-4-5-24-16-25(22-12-8-20(3)9-13-22)18-27-26-17-23(14-15-28(26)30-29(24)27)21-10-6-19(2)7-11-21/h6-18,30H,4-5H2,1-3H3.
What are the key properties of 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole?
3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole has a molecular weight of 389.54 g/mol, XLogP of 8.22, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole is sourced from PubChem (CID 175035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).