2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

C71H56N4O — CID 168780463

IUPAC2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)c(Oc4cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C71H56N4O/c1-48-39-69(72-46-63(48)53-31-18-9-19-32-53)75-64-38-37-54(49-23-10-5-11-24-49)40-61(64)62-44-60(52-29-16-8-17-30-52)68(45-67(62)75)76-57-42-55(71(2,3)4)41-56(43-57)73-47-74(66-36-21-20-35-65(66)73)70-58(50-25-12-6-13-26-50)33-22-34-59(70)51-27-14-7-15-28-51/h5-46H,47H2,1-4H3
InChIKeyADSBVRUYCDXDEI-UHFFFAOYSA-N
MW981.26 g/mol
LogP19.16
Rot. Bonds10

About 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (PubChem CID 168780463) has the molecular formula C71H56N4O and a molecular weight of 981.26 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
PubChem CID168780463
Molecular FormulaC71H56N4O
Molecular Weight981.26 g/mol
Exact Mass980.45
IUPAC Name2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)c(Oc4cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C71H56N4O/c1-48-39-69(72-46-63(48)53-31-18-9-19-32-53)75-64-38-37-54(49-23-10-5-11-24-49)40-61(64)62-44-60(52-29-16-8-17-30-52)68(45-67(62)75)76-57-42-55(71(2,3)4)41-56(43-57)73-47-74(66-36-21-20-35-65(66)73)70-58(50-25-12-6-13-26-50)33-22-34-59(70)51-27-14-7-15-28-51/h5-46H,47H2,1-4H3
InChIKeyADSBVRUYCDXDEI-UHFFFAOYSA-N
XLogP19.16
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.26
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-3,6-diphenyl-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780625
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780490
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780381
2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780783
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780806
9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164727386
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514
[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
CID 164726825

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The IUPAC name of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (CID 168780463) is 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)c(Oc4cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The InChIKey is ADSBVRUYCDXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H56N4O/c1-48-39-69(72-46-63(48)53-31-18-9-19-32-53)75-64-38-37-54(49-23-10-5-11-24-49)40-61(64)62-44-60(52-29-16-8-17-30-52)68(45-67(62)75)76-57-42-55(71(2,3)4)41-56(43-57)73-47-74(66-36-21-20-35-65(66)73)70-58(50-25-12-6-13-26-50)33-22-34-59(70)51-27-14-7-15-28-51/h5-46H,47H2,1-4H3.
What are the key properties of 2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole has a molecular weight of 981.26 g/mol, XLogP of 19.16, 10 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-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is sourced from PubChem (CID 168780463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).