6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole

C67H54N6O — CID 166006535

IUPAC6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
SMILES[2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7cccc(C(C)(C)C)c7n(-c7cc(C)c(-c8ccccc8)cn7)c6c5)c4)c4ccccc43)c21
InChIInChI=1S/C67H54N6O/c1-42-37-59(68-40-52(42)43-21-9-7-10-22-43)73-58-39-47(35-36-48(58)49-29-20-30-53(63(49)73)67(2,3)4)74-46-26-19-25-45(38-46)71-41-72(57-34-18-17-33-56(57)71)66-64-61(50-27-13-15-31-54(50)69(64)5)60(44-23-11-8-12-24-44)62-51-28-14-16-32-55(51)70(6)65(62)66/h7-40H,41H2,1-6H3/i5D3,6D3
InChIKeyVQHFZMZABCNYQO-SCPKHUGHSA-N
MW965.25 g/mol
LogP17.45
Rot. Bonds9

About 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole

6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole (PubChem CID 166006535) has the molecular formula C67H54N6O and a molecular weight of 965.25 g/mol. Its IUPAC name is 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
PubChem CID166006535
Molecular FormulaC67H54N6O
Molecular Weight965.25 g/mol
Exact Mass964.47
IUPAC Name6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
SMILES[2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7cccc(C(C)(C)C)c7n(-c7cc(C)c(-c8ccccc8)cn7)c6c5)c4)c4ccccc43)c21
InChIInChI=1S/C67H54N6O/c1-42-37-59(68-40-52(42)43-21-9-7-10-22-43)73-58-39-47(35-36-48(58)49-29-20-30-53(63(49)73)67(2,3)4)74-46-26-19-25-45(38-46)71-41-72(57-34-18-17-33-56(57)71)66-64-61(50-27-13-15-31-54(50)69(64)5)60(44-23-11-8-12-24-44)62-51-28-14-16-32-55(51)70(6)65(62)66/h7-40H,41H2,1-6H3/i5D3,6D3
InChIKeyVQHFZMZABCNYQO-SCPKHUGHSA-N
XLogP17.45
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.25
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole with MolForge

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Related Compounds

6-[3-[3-[8-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
CID 166006665
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
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
6-[3-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
CID 166006757
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082811
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
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177083037
[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
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-(3-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-phenylcarbazole
CID 177133284
2-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-7-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727095
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?
The IUPAC name of 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole (CID 166006535) is 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?
The canonical SMILES for 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole is [2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7cccc(C(C)(C)C)c7n(-c7cc(C)c(-c8ccccc8)cn7)c6c5)c4)c4ccccc43)c21.
What is the InChIKey of 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?
The InChIKey is VQHFZMZABCNYQO-SCPKHUGHSA-N. The full InChI is InChI=1S/C67H54N6O/c1-42-37-59(68-40-52(42)43-21-9-7-10-22-43)73-58-39-47(35-36-48(58)49-29-20-30-53(63(49)73)67(2,3)4)74-46-26-19-25-45(38-46)71-41-72(57-34-18-17-33-56(57)71)66-64-61(50-27-13-15-31-54(50)69(64)5)60(44-23-11-8-12-24-44)62-51-28-14-16-32-55(51)70(6)65(62)66/h7-40H,41H2,1-6H3/i5D3,6D3.
What are the key properties of 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole?
6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole has a molecular weight of 965.25 g/mol, XLogP of 17.45, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[8-tert-butyl-9-(4-methyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-12-phenyl-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 166006535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).