2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C44H48N4O — CID 155651962

IUPAC2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2ccccc2C(C)(C)C)CN1c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
InChIInChI=1S/C44H48N4O/c1-42(2,3)30-23-24-45-41(25-30)48-37-19-12-10-17-34(37)35-22-21-33(27-39(35)48)49-32-16-14-15-31(26-32)47-29-46(28-40(47)44(7,8)9)38-20-13-11-18-36(38)43(4,5)6/h10-28H,29H2,1-9H3
InChIKeyRQQUIXOITZWIMH-UHFFFAOYSA-N
MW648.90 g/mol
LogP11.74
Rot. Bonds5

About 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651962) has the molecular formula C44H48N4O and a molecular weight of 648.90 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155651962
Molecular FormulaC44H48N4O
Molecular Weight648.90 g/mol
Exact Mass648.38
IUPAC Name2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2ccccc2C(C)(C)C)CN1c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
InChIInChI=1S/C44H48N4O/c1-42(2,3)30-23-24-45-41(25-30)48-37-19-12-10-17-34(37)35-22-21-33(27-39(35)48)49-32-16-14-15-31(26-32)47-29-46(28-40(47)44(7,8)9)38-20-13-11-18-36(38)43(4,5)6/h10-28H,29H2,1-9H3
InChIKeyRQQUIXOITZWIMH-UHFFFAOYSA-N
XLogP11.74
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.90
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651692
2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158807825
2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159266601
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651487
2-[3-[5-tert-butyl-3-[4-[2,6-di(propan-2-yl)phenyl]-2-phenylphenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651788
2-[3-[4-tert-butyl-3-(3,5-diphenylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651874
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161248197
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
5-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652553
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
5-tert-butyl-2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155623052

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651962) is 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2ccccc2C(C)(C)C)CN1c1cccc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1.
What is the InChIKey of 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is RQQUIXOITZWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4O/c1-42(2,3)30-23-24-45-41(25-30)48-37-19-12-10-17-34(37)35-22-21-33(27-39(35)48)49-32-16-14-15-31(26-32)47-29-46(28-40(47)44(7,8)9)38-20-13-11-18-36(38)43(4,5)6/h10-28H,29H2,1-9H3.
What are the key properties of 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 648.90 g/mol, XLogP of 11.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).