9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole

C28H29N3 — CID 58400859

IUPAC9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
SMILESCC(C)c1cc2c(c(C(C)C)c1-n1ccnc1-c1ccccc1)c1ccccc1n2C
InChIInChI=1S/C28H29N3/c1-18(2)22-17-24-26(21-13-9-10-14-23(21)30(24)5)25(19(3)4)27(22)31-16-15-29-28(31)20-11-7-6-8-12-20/h6-19H,1-5H3
InChIKeyTVAQMKOBBAJISX-UHFFFAOYSA-N
MW407.56 g/mol
LogP7.43
Rot. Bonds4

About 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole

9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole (PubChem CID 58400859) has the molecular formula C28H29N3 and a molecular weight of 407.56 g/mol. Its IUPAC name is 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
PubChem CID58400859
Molecular FormulaC28H29N3
Molecular Weight407.56 g/mol
Exact Mass407.24
IUPAC Name9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
SMILESCC(C)c1cc2c(c(C(C)C)c1-n1ccnc1-c1ccccc1)c1ccccc1n2C
InChIInChI=1S/C28H29N3/c1-18(2)22-17-24-26(21-13-9-10-14-23(21)30(24)5)25(19(3)4)27(22)31-16-15-29-28(31)20-11-7-6-8-12-20/h6-19H,1-5H3
InChIKeyTVAQMKOBBAJISX-UHFFFAOYSA-N
XLogP7.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
CID 140799994
4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
CID 140866296
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The IUPAC name of 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole (CID 58400859) is 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole.
What is the SMILES notation for 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The canonical SMILES for 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole is CC(C)c1cc2c(c(C(C)C)c1-n1ccnc1-c1ccccc1)c1ccccc1n2C.
What is the InChIKey of 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
The InChIKey is TVAQMKOBBAJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3/c1-18(2)22-17-24-26(21-13-9-10-14-23(21)30(24)5)25(19(3)4)27(22)31-16-15-29-28(31)20-11-7-6-8-12-20/h6-19H,1-5H3.
What are the key properties of 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole?
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole has a molecular weight of 407.56 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole is sourced from PubChem (CID 58400859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).