2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol

C54H52N4O — CID 164823623

IUPAC2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C54H52N4O/c1-52(2,3)36-26-28-45(41(31-36)34-18-11-10-12-19-34)58-46-23-17-21-38(49(46)56-51(58)42-32-37(53(4,5)6)33-43(50(42)59)54(7,8)9)35-25-27-40-39-20-13-14-22-44(39)57(47(40)30-35)48-24-15-16-29-55-48/h10-33,59H,1-9H3
InChIKeyXEDHSEMOUWCNAW-UHFFFAOYSA-N
MW773.04 g/mol
LogP14.12
Rot. Bonds5

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol (PubChem CID 164823623) has the molecular formula C54H52N4O and a molecular weight of 773.04 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
PubChem CID164823623
Molecular FormulaC54H52N4O
Molecular Weight773.04 g/mol
Exact Mass772.41
IUPAC Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C54H52N4O/c1-52(2,3)36-26-28-45(41(31-36)34-18-11-10-12-19-34)58-46-23-17-21-38(49(46)56-51(58)42-32-37(53(4,5)6)33-43(50(42)59)54(7,8)9)35-25-27-40-39-20-13-14-22-44(39)57(47(40)30-35)48-24-15-16-29-55-48/h10-33,59H,1-9H3
InChIKeyXEDHSEMOUWCNAW-UHFFFAOYSA-N
XLogP14.12
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 514.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]phenol;platinum
CID 164823625
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177093891
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831896
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-deuterio-4-phenyl-2-pyridinyl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 171425050
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol
CID 172504678
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477494
CID 170942437
CID 170942437

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol (CID 164823623) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c(-c2ccccc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol?
The InChIKey is XEDHSEMOUWCNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N4O/c1-52(2,3)36-26-28-45(41(31-36)34-18-11-10-12-19-34)58-46-23-17-21-38(49(46)56-51(58)42-32-37(53(4,5)6)33-43(50(42)59)54(7,8)9)35-25-27-40-39-20-13-14-22-44(39)57(47(40)30-35)48-24-15-16-29-55-48/h10-33,59H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol has a molecular weight of 773.04 g/mol, XLogP of 14.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 164823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).