2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C54H52N4O — CID 155651517

IUPAC2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C54H52N4O/c1-52(2,3)40-27-28-55-51(34-40)58-49-24-15-14-23-47(49)48-26-25-46(36-50(48)58)59-45-22-16-21-43(35-45)56-29-30-57(37-56)44-32-41(53(4,5)38-17-10-8-11-18-38)31-42(33-44)54(6,7)39-19-12-9-13-20-39/h8-36H,37H2,1-7H3
InChIKeyMLCRSUSOHHKEQN-UHFFFAOYSA-N
MW773.04 g/mol
LogP13.68
Rot. Bonds9

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651517) has the molecular formula C54H52N4O and a molecular weight of 773.04 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155651517
Molecular FormulaC54H52N4O
Molecular Weight773.04 g/mol
Exact Mass772.41
IUPAC Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1
InChIInChI=1S/C54H52N4O/c1-52(2,3)40-27-28-55-51(34-40)58-49-24-15-14-23-47(49)48-26-25-46(36-50(48)58)59-45-22-16-21-43(35-45)56-29-30-57(37-56)44-32-41(53(4,5)38-17-10-8-11-18-38)31-42(33-44)54(6,7)39-19-12-9-13-20-39/h8-36H,37H2,1-7H3
InChIKeyMLCRSUSOHHKEQN-UHFFFAOYSA-N
XLogP13.68
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
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-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158982899
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
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157334163
2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651583
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-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 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) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5C=CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)C5)c4)cc32)c1.
What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is MLCRSUSOHHKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N4O/c1-52(2,3)40-27-28-55-51(34-40)58-49-24-15-14-23-47(49)48-26-25-46(36-50(48)58)59-45-22-16-21-43(35-45)56-29-30-57(37-56)44-32-41(53(4,5)38-17-10-8-11-18-38)31-42(33-44)54(6,7)39-19-12-9-13-20-39/h8-36H,37H2,1-7H3.
What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 773.04 g/mol, XLogP of 13.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).