2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C63H72N4O — CID 155650741

IUPAC2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3c(c2)N(c2cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c2)CN3c2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C63H72N4O/c1-39(2)43-29-53(40(3)4)60(54(30-43)41(5)6)42-23-26-56-58(31-42)66(38-65(56)47-20-18-19-44(32-47)61(7,8)9)48-33-46(63(13,14)15)34-50(36-48)68-49-24-25-52-51-21-16-17-22-55(51)67(57(52)37-49)59-35-45(27-28-64-59)62(10,11)12/h16-37,39-41H,38H2,1-15H3
InChIKeyODRGVGWGOKEHEN-UHFFFAOYSA-N
MW901.30 g/mol
LogP18.15
Rot. Bonds9

About 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155650741) has the molecular formula C63H72N4O and a molecular weight of 901.30 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID155650741
Molecular FormulaC63H72N4O
Molecular Weight901.30 g/mol
Exact Mass900.57
IUPAC Name2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cc(C(C)C)c(-c2ccc3c(c2)N(c2cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c2)CN3c2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C63H72N4O/c1-39(2)43-29-53(40(3)4)60(54(30-43)41(5)6)42-23-26-56-58(31-42)66(38-65(56)47-20-18-19-44(32-47)61(7,8)9)48-33-46(63(13,14)15)34-50(36-48)68-49-24-25-52-51-21-16-17-22-55(51)67(57(52)37-49)59-35-45(27-28-64-59)62(10,11)12/h16-37,39-41H,38H2,1-15H3
InChIKeyODRGVGWGOKEHEN-UHFFFAOYSA-N
XLogP18.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.30
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155651105
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158904656
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158430502
9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 158904655
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 157225514
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530506
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159366116
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 158107969
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162102791
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652621

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155650741) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)N(c2cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c2)CN3c2cccc(C(C)(C)C)c2)c(C(C)C)c1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is ODRGVGWGOKEHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H72N4O/c1-39(2)43-29-53(40(3)4)60(54(30-43)41(5)6)42-23-26-56-58(31-42)66(38-65(56)47-20-18-19-44(32-47)61(7,8)9)48-33-46(63(13,14)15)34-50(36-48)68-49-24-25-52-51-21-16-17-22-55(51)67(57(52)37-49)59-35-45(27-28-64-59)62(10,11)12/h16-37,39-41H,38H2,1-15H3.
What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 901.30 g/mol, XLogP of 18.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155650741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).