4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole

C47H46N4O — CID 162771187

IUPAC4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(Oc2cccc(N3C=CN(c4ccccc4)C3)c2)cc2c1c1ccccc1n2-c1cc(C(C)(C)C)ccn1
InChIInChI=1S/C47H46N4O/c1-32-26-33(46(2,3)4)20-21-39(32)41-29-38(52-37-17-13-16-36(28-37)50-25-24-49(31-50)35-14-9-8-10-15-35)30-43-45(41)40-18-11-12-19-42(40)51(43)44-27-34(22-23-48-44)47(5,6)7/h8-30H,31H2,1-7H3
InChIKeyNPGGUTOXIRDOHI-UHFFFAOYSA-N
MW682.91 g/mol
LogP12.30
Rot. Bonds6

About 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole

4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole (PubChem CID 162771187) has the molecular formula C47H46N4O and a molecular weight of 682.91 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole
PubChem CID162771187
Molecular FormulaC47H46N4O
Molecular Weight682.91 g/mol
Exact Mass682.37
IUPAC Name4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole
SMILESCc1cc(C(C)(C)C)ccc1-c1cc(Oc2cccc(N3C=CN(c4ccccc4)C3)c2)cc2c1c1ccccc1n2-c1cc(C(C)(C)C)ccn1
InChIInChI=1S/C47H46N4O/c1-32-26-33(46(2,3)4)20-21-39(32)41-29-38(52-37-17-13-16-36(28-37)50-25-24-49(31-50)35-14-9-8-10-15-35)30-43-45(41)40-18-11-12-19-42(40)51(43)44-27-34(22-23-48-44)47(5,6)7/h8-30H,31H2,1-7H3
InChIKeyNPGGUTOXIRDOHI-UHFFFAOYSA-N
XLogP12.30
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
9-(4-tert-butyl-2-pyridinyl)-4-(4,4-dimethylcyclohexyl)-2-[3-(4-phenyl-2,3-dihydropyrazin-1-yl)phenoxy]carbazole
CID 172526067
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
CID 155635818
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4-diphenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155651780
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]carbazole
CID 158982897
2-[3-[3-[3,5-bis(2-methylpropyl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652120

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole?
The IUPAC name of 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole (CID 162771187) is 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole is Cc1cc(C(C)(C)C)ccc1-c1cc(Oc2cccc(N3C=CN(c4ccccc4)C3)c2)cc2c1c1ccccc1n2-c1cc(C(C)(C)C)ccn1.
What is the InChIKey of 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole?
The InChIKey is NPGGUTOXIRDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N4O/c1-32-26-33(46(2,3)4)20-21-39(32)41-29-38(52-37-17-13-16-36(28-37)50-25-24-49(31-50)35-14-9-8-10-15-35)30-43-45(41)40-18-11-12-19-42(40)51(43)44-27-34(22-23-48-44)47(5,6)7/h8-30H,31H2,1-7H3.
What are the key properties of 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole?
4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole has a molecular weight of 682.91 g/mol, XLogP of 12.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 162771187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).