4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole

C28H26N2 — CID 56931635

IUPAC4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C28H26N2/c1-18-9-11-20(12-10-18)25-17-23(19-13-15-21(16-14-19)28(2,3)4)26-22-7-5-6-8-24(22)29-27(26)30-25/h5-17H,1-4H3,(H,29,30)
InChIKeyKEACQNBLYISWGR-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.66
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole

4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole (PubChem CID 56931635) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole
PubChem CID56931635
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole
SMILESCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C28H26N2/c1-18-9-11-20(12-10-18)25-17-23(19-13-15-21(16-14-19)28(2,3)4)26-22-7-5-6-8-24(22)29-27(26)30-25/h5-17H,1-4H3,(H,29,30)
InChIKeyKEACQNBLYISWGR-UHFFFAOYSA-N
XLogP7.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
CID 170539352
2-methyl-4-(2-methylphenyl)-9H-pyrido[2,3-b]indole
CID 135060330
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
CID 176621868
1-(4-tert-butylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;1-(4-methylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]phenyl]silane
CID 161427818
6-(4-tert-butylphenyl)-4-(4-chlorophenyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 102048271

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole (CID 56931635) is 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole is Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3c(n2)[nH]c2ccccc23)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is KEACQNBLYISWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-18-9-11-20(12-10-18)25-17-23(19-13-15-21(16-14-19)28(2,3)4)26-22-7-5-6-8-24(22)29-27(26)30-25/h5-17H,1-4H3,(H,29,30).
What are the key properties of 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole?
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 390.53 g/mol, XLogP of 7.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 56931635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).