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

C67H62N6O — CID 166006607

IUPAC2,10-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
SMILES[2H]C([2H])([2H])n1c2ccc(C(C)(C)C)cc2c2cc3c4cc(C(C)(C)C)ccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)c8ccccc8)ccn7)c6c5)c4)c4ccccc43)c21
InChIInChI=1S/C67H62N6O/c1-65(2,3)43-27-31-55-51(35-43)53-40-54-52-36-44(66(4,5)6)28-32-56(52)70(10)63(54)64(62(53)69(55)9)72-41-71(58-25-16-17-26-59(58)72)46-21-18-22-47(38-46)74-48-29-30-50-49-23-14-15-24-57(49)73(60(50)39-48)61-37-45(33-34-68-61)67(7,8)42-19-12-11-13-20-42/h11-40H,41H2,1-10H3/i9D3,10D3
InChIKeyKJQUNUJJWKFRDU-HSXJQLJASA-N
MW973.31 g/mol
LogP17.43
Rot. Bonds9

About 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

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 (PubChem CID 166006607) has the molecular formula C67H62N6O and a molecular weight of 973.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,10-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
PubChem CID166006607
Molecular FormulaC67H62N6O
Molecular Weight973.31 g/mol
Exact Mass972.54
IUPAC Name2,10-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
SMILES[2H]C([2H])([2H])n1c2ccc(C(C)(C)C)cc2c2cc3c4cc(C(C)(C)C)ccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)c8ccccc8)ccn7)c6c5)c4)c4ccccc43)c21
InChIInChI=1S/C67H62N6O/c1-65(2,3)43-27-31-55-51(35-43)53-40-54-52-36-44(66(4,5)6)28-32-56(52)70(10)63(54)64(62(53)69(55)9)72-41-71(58-25-16-17-26-59(58)72)46-21-18-22-47(38-46)74-48-29-30-50-49-23-14-15-24-57(49)73(60(50)39-48)61-37-45(33-34-68-61)67(7,8)42-19-12-11-13-20-42/h11-40H,41H2,1-10H3/i9D3,10D3
InChIKeyKJQUNUJJWKFRDU-HSXJQLJASA-N
XLogP17.43
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.31
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388
6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 157150290
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987
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-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 162177244
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
6-tert-butyl-2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 170780290
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-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 160849063
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-7-(2-phenylpropan-2-yl)carbazole
CID 158357333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])n1c2ccc(C(C)(C)C)cc2c2cc3c4cc(C(C)(C)C)ccc4n(C([2H])([2H])[2H])c3c(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)c8ccccc8)ccn7)c6c5)c4)c4ccccc43)c21.
What is the InChIKey of 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?
The InChIKey is KJQUNUJJWKFRDU-HSXJQLJASA-N. The full InChI is InChI=1S/C67H62N6O/c1-65(2,3)43-27-31-55-51(35-43)53-40-54-52-36-44(66(4,5)6)28-32-56(52)70(10)63(54)64(62(53)69(55)9)72-41-71(58-25-16-17-26-59(58)72)46-21-18-22-47(38-46)74-48-29-30-50-49-23-14-15-24-57(49)73(60(50)39-48)61-37-45(33-34-68-61)67(7,8)42-19-12-11-13-20-42/h11-40H,41H2,1-10H3/i9D3,10D3.
What are the key properties of 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?
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 has a molecular weight of 973.31 g/mol, XLogP of 17.43, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166006607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).