2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole

C35H36N4 — CID 140716845

IUPAC2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole
SMILESCC(C)(C)C(c1cccc(-n2c3ccccc3c3ccc(-c4ncc[nH]4)cc32)c1)(c1ccccn1)C(C)(C)C
InChIInChI=1S/C35H36N4/c1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)39-29-15-8-7-14-27(29)28-18-17-24(22-30(28)39)32-37-20-21-38-32/h7-23H,1-6H3,(H,37,38)
InChIKeyQUHCCWKSTWRRQI-UHFFFAOYSA-N
MW512.70 g/mol
LogP8.95
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole

2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole (PubChem CID 140716845) has the molecular formula C35H36N4 and a molecular weight of 512.70 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole
PubChem CID140716845
Molecular FormulaC35H36N4
Molecular Weight512.70 g/mol
Exact Mass512.29
IUPAC Name2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole
SMILESCC(C)(C)C(c1cccc(-n2c3ccccc3c3ccc(-c4ncc[nH]4)cc32)c1)(c1ccccn1)C(C)(C)C
InChIInChI=1S/C35H36N4/c1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)39-29-15-8-7-14-27(29)28-18-17-24(22-30(28)39)32-37-20-21-38-32/h7-23H,1-6H3,(H,37,38)
InChIKeyQUHCCWKSTWRRQI-UHFFFAOYSA-N
XLogP8.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-2,3-dihydrofluoren-9-yl]phenyl]-2-(1H-imidazol-2-yl)carbazole
CID 161224625
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole
CID 140716735
2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole
CID 140716193
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole (CID 140716845) is 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole is CC(C)(C)C(c1cccc(-n2c3ccccc3c3ccc(-c4ncc[nH]4)cc32)c1)(c1ccccn1)C(C)(C)C.
What is the InChIKey of 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole?
The InChIKey is QUHCCWKSTWRRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4/c1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)39-29-15-8-7-14-27(29)28-18-17-24(22-30(28)39)32-37-20-21-38-32/h7-23H,1-6H3,(H,37,38).
What are the key properties of 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole?
2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole has a molecular weight of 512.70 g/mol, XLogP of 8.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole is sourced from PubChem (CID 140716845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).