9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole

C56H59N7O2 — CID 162263550

IUPAC9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
SMILESCN1CN(c2ccc3c4ccc(N5CN(C)c6ccccc65)cc4n(-c4cc(Oc5cc(C(C)(C)C)ccn5)c(C(C)(C)C)c(Oc5cc(C(C)(C)C)ccn5)c4)c3c2)c2ccccc21
InChIInChI=1S/C56H59N7O2/c1-54(2,3)36-24-26-57-51(28-36)64-49-32-40(33-50(53(49)56(7,8)9)65-52-29-37(25-27-58-52)55(4,5)6)63-47-30-38(61-34-59(10)43-16-12-14-18-45(43)61)20-22-41(47)42-23-21-39(31-48(42)63)62-35-60(11)44-17-13-15-19-46(44)62/h12-33H,34-35H2,1-11H3
InChIKeyBINAFUSOBRVFAT-UHFFFAOYSA-N
MW862.13 g/mol
LogP14.14
Rot. Bonds7

About 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole

9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole (PubChem CID 162263550) has the molecular formula C56H59N7O2 and a molecular weight of 862.13 g/mol. Its IUPAC name is 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole.

Molecular Properties

Compound Name9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
PubChem CID162263550
Molecular FormulaC56H59N7O2
Molecular Weight862.13 g/mol
Exact Mass861.47
IUPAC Name9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole
SMILESCN1CN(c2ccc3c4ccc(N5CN(C)c6ccccc65)cc4n(-c4cc(Oc5cc(C(C)(C)C)ccn5)c(C(C)(C)C)c(Oc5cc(C(C)(C)C)ccn5)c4)c3c2)c2ccccc21
InChIInChI=1S/C56H59N7O2/c1-54(2,3)36-24-26-57-51(28-36)64-49-32-40(33-50(53(49)56(7,8)9)65-52-29-37(25-27-58-52)55(4,5)6)63-47-30-38(61-34-59(10)43-16-12-14-18-45(43)61)20-22-41(47)42-23-21-39(31-48(42)63)62-35-60(11)44-17-13-15-19-46(44)62/h12-33H,34-35H2,1-11H3
InChIKeyBINAFUSOBRVFAT-UHFFFAOYSA-N
XLogP14.14
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
1-[2-[3-[(4-tert-butyl-2-pyridinyl)sulfanyl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848516
2-[[4-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-9-(4-tert-butyl-2-pyridinyl)pyrido[2,3-b]indole
CID 168848602
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-6-phenyl-2-pyridinyl]oxy]carbazole
CID 168848689
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 155622876
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-1-yl]-2-pyridinyl]oxy]carbazole
CID 168848644
9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
CID 168848640
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole?
The IUPAC name of 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole (CID 162263550) is 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole.
What is the SMILES notation for 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole?
The canonical SMILES for 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole is CN1CN(c2ccc3c4ccc(N5CN(C)c6ccccc65)cc4n(-c4cc(Oc5cc(C(C)(C)C)ccn5)c(C(C)(C)C)c(Oc5cc(C(C)(C)C)ccn5)c4)c3c2)c2ccccc21.
What is the InChIKey of 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole?
The InChIKey is BINAFUSOBRVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H59N7O2/c1-54(2,3)36-24-26-57-51(28-36)64-49-32-40(33-50(53(49)56(7,8)9)65-52-29-37(25-27-58-52)55(4,5)6)63-47-30-38(61-34-59(10)43-16-12-14-18-45(43)61)20-22-41(47)42-23-21-39(31-48(42)63)62-35-60(11)44-17-13-15-19-46(44)62/h12-33H,34-35H2,1-11H3.
What are the key properties of 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole?
9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole has a molecular weight of 862.13 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-tert-butyl-3,5-bis[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-2,7-bis(3-methyl-2H-benzimidazol-1-yl)carbazole is sourced from PubChem (CID 162263550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).