2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole

C45H50N4O — CID 155652244

IUPAC2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
SMILESCc1ccc(-n2c3cc(Oc4cccc(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)C5)c4)ccc3c3ccc(C(C)(C)C)cc32)nc1
InChIInChI=1S/C45H50N4O/c1-30-14-19-42(46-28-30)49-40-25-31(43(2,3)4)15-17-38(40)39-18-16-37(27-41(39)49)50-36-13-11-12-34(26-36)47-20-21-48(29-47)35-23-32(44(5,6)7)22-33(24-35)45(8,9)10/h11-28H,29H2,1-10H3
InChIKeyWQRRRFILVNXPAP-UHFFFAOYSA-N
MW662.92 g/mol
LogP11.93
Rot. Bonds5

About 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole

2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole (PubChem CID 155652244) has the molecular formula C45H50N4O and a molecular weight of 662.92 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
PubChem CID155652244
Molecular FormulaC45H50N4O
Molecular Weight662.92 g/mol
Exact Mass662.40
IUPAC Name2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
SMILESCc1ccc(-n2c3cc(Oc4cccc(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)C5)c4)ccc3c3ccc(C(C)(C)C)cc32)nc1
InChIInChI=1S/C45H50N4O/c1-30-14-19-42(46-28-30)49-40-25-31(43(2,3)4)15-17-38(40)39-18-16-37(27-41(39)49)50-36-13-11-12-34(26-36)47-20-21-48(29-47)35-23-32(44(5,6)7)22-33(24-35)45(8,9)10/h11-28H,29H2,1-10H3
InChIKeyWQRRRFILVNXPAP-UHFFFAOYSA-N
XLogP11.93
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.92
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
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
3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476395
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-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
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
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651858
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
5,8-dimethyl-3-[2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]pyrido[4,3-b]indole
CID 162475982

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole (CID 155652244) is 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole is Cc1ccc(-n2c3cc(Oc4cccc(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)C5)c4)ccc3c3ccc(C(C)(C)C)cc32)nc1.
What is the InChIKey of 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole?
The InChIKey is WQRRRFILVNXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N4O/c1-30-14-19-42(46-28-30)49-40-25-31(43(2,3)4)15-17-38(40)39-18-16-37(27-41(39)49)50-36-13-11-12-34(26-36)47-20-21-48(29-47)35-23-32(44(5,6)7)22-33(24-35)45(8,9)10/h11-28H,29H2,1-10H3.
What are the key properties of 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole?
2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole has a molecular weight of 662.92 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155652244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).