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

C68H64N6O — CID 166006757

IUPAC6-[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
SMILES[2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cc(Oc5ccc6c7cc(C(C)(C)C)ccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)cc(C(C)(C)C)c4)c4ccccc43)c21
InChIInChI=1S/C68H64N6O/c1-66(2,3)43-29-32-55-52(37-43)49-31-30-47(40-58(49)74(55)59-38-44(33-34-69-59)67(4,5)6)75-48-36-45(68(7,8)9)35-46(39-48)72-41-73(57-28-20-19-27-56(57)72)65-63-61(50-23-15-17-25-53(50)70(63)10)60(42-21-13-12-14-22-42)62-51-24-16-18-26-54(51)71(11)64(62)65/h12-40H,41H2,1-11H3/i10D3,11D3
InChIKeyGOSNWDMMQGSILR-XMIYMRPOSA-N
MW987.34 g/mol
LogP18.07
Rot. Bonds8

About 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

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 (PubChem CID 166006757) has the molecular formula C68H64N6O and a molecular weight of 987.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID166006757
Molecular FormulaC68H64N6O
Molecular Weight987.34 g/mol
Exact Mass986.55
IUPAC Name6-[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
SMILES[2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cc(Oc5ccc6c7cc(C(C)(C)C)ccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)cc(C(C)(C)C)c4)c4ccccc43)c21
InChIInChI=1S/C68H64N6O/c1-66(2,3)43-29-32-55-52(37-43)49-31-30-47(40-58(49)74(55)59-38-44(33-34-69-59)67(4,5)6)75-48-36-45(68(7,8)9)35-46(39-48)72-41-73(57-28-20-19-27-56(57)72)65-63-61(50-23-15-17-25-53(50)70(63)10)60(42-21-13-12-14-22-42)62-51-24-16-18-26-54(51)71(11)64(62)65/h12-40H,41H2,1-11H3/i10D3,11D3
InChIKeyGOSNWDMMQGSILR-XMIYMRPOSA-N
XLogP18.07
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.34
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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
2,10-ditert-butyl-6-[3-[3-[9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-5,7-bis(trideuteriomethyl)indolo[2,3-b]carbazole
CID 166006607
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
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 159717140
2-[3-tert-butyl-5-[3-(3-tert-butyl-4-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651286
6-tert-butyl-2-[3-tert-butyl-5-[5-tert-butyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153490581
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161005655
2-[3-tert-butyl-5-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531321

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])n1c2ccccc2c2c(-c3ccccc3)c3c4ccccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cc(Oc5ccc6c7cc(C(C)(C)C)ccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)cc(C(C)(C)C)c4)c4ccccc43)c21.
What is the InChIKey of 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?
The InChIKey is GOSNWDMMQGSILR-XMIYMRPOSA-N. The full InChI is InChI=1S/C68H64N6O/c1-66(2,3)43-29-32-55-52(37-43)49-31-30-47(40-58(49)74(55)59-38-44(33-34-69-59)67(4,5)6)75-48-36-45(68(7,8)9)35-46(39-48)72-41-73(57-28-20-19-27-56(57)72)65-63-61(50-23-15-17-25-53(50)70(63)10)60(42-21-13-12-14-22-42)62-51-24-16-18-26-54(51)71(11)64(62)65/h12-40H,41H2,1-11H3/i10D3,11D3.
What are the key properties of 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?
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 has a molecular weight of 987.34 g/mol, XLogP of 18.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166006757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).