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

C65H52N4O — CID 168780806

IUPAC2-[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
SMILES[2H]c1c(Oc2ccc3c4ccccc4n(-c4cc(C)c(-c5ccccc5)cn4)c3c2)cc(N2CN(c3c(-c4ccc(C(C)(C)C)cc4)cccc3-c3cccc(-c4ccccc4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H52N4O/c1-44-38-63(66-42-58(44)46-20-9-6-10-21-46)69-59-29-12-11-26-56(59)57-37-36-53(41-62(57)69)70-52-25-16-24-51(40-52)67-43-68(61-31-14-13-30-60(61)67)64-54(47-32-34-50(35-33-47)65(2,3)4)27-17-28-55(64)49-23-15-22-48(39-49)45-18-7-5-8-19-45/h5-42H,43H2,1-4H3/i16D,24D,25D
InChIKeyFYZGQQFTRDMATI-YFWUSBKZSA-N
MW908.18 g/mol
LogP17.49
Rot. Bonds9

About 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

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 (PubChem CID 168780806) has the molecular formula C65H52N4O and a molecular weight of 908.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID168780806
Molecular FormulaC65H52N4O
Molecular Weight908.18 g/mol
Exact Mass907.43
IUPAC Name2-[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
SMILES[2H]c1c(Oc2ccc3c4ccccc4n(-c4cc(C)c(-c5ccccc5)cn4)c3c2)cc(N2CN(c3c(-c4ccc(C(C)(C)C)cc4)cccc3-c3cccc(-c4ccccc4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H52N4O/c1-44-38-63(66-42-58(44)46-20-9-6-10-21-46)69-59-29-12-11-26-56(59)57-37-36-53(41-62(57)69)70-52-25-16-24-51(40-52)67-43-68(61-31-14-13-30-60(61)67)64-54(47-32-34-50(35-33-47)65(2,3)4)27-17-28-55(64)49-23-15-22-48(39-49)45-18-7-5-8-19-45/h5-42H,43H2,1-4H3/i16D,24D,25D
InChIKeyFYZGQQFTRDMATI-YFWUSBKZSA-N
XLogP17.49
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780284
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
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
9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780350
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780590
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
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
9-[4-tert-butyl-5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083076
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
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
9-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 171721538

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c(Oc2ccc3c4ccccc4n(-c4cc(C)c(-c5ccccc5)cn4)c3c2)cc(N2CN(c3c(-c4ccc(C(C)(C)C)cc4)cccc3-c3cccc(-c4ccccc4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is FYZGQQFTRDMATI-YFWUSBKZSA-N. The full InChI is InChI=1S/C65H52N4O/c1-44-38-63(66-42-58(44)46-20-9-6-10-21-46)69-59-29-12-11-26-56(59)57-37-36-53(41-62(57)69)70-52-25-16-24-51(40-52)67-43-68(61-31-14-13-30-60(61)67)64-54(47-32-34-50(35-33-47)65(2,3)4)27-17-28-55(64)49-23-15-22-48(39-49)45-18-7-5-8-19-45/h5-42H,43H2,1-4H3/i16D,24D,25D.
What are the key properties of 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?
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 has a molecular weight of 908.18 g/mol, XLogP of 17.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168780806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).