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

C71H72N4O — CID 157150987

IUPAC2-[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
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)ccc65)c4)cc32)c1
InChIInChI=1S/C71H72N4O/c1-67(2,3)51-31-36-63-65(43-51)74(57-40-54(70(9,10)49-25-18-14-19-26-49)39-55(41-57)71(11,12)50-27-20-15-21-28-50)47-73(63)56-29-22-30-58(45-56)76-59-33-34-60-61-42-53(69(7,8)48-23-16-13-17-24-48)32-35-62(61)75(64(60)46-59)66-44-52(37-38-72-66)68(4,5)6/h13-46H,47H2,1-12H3
InChIKeyDHQKWROTKWGEBL-UHFFFAOYSA-N
MW997.38 g/mol
LogP18.79
Rot. Bonds11

About 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

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 (PubChem CID 157150987) has the molecular formula C71H72N4O and a molecular weight of 997.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157150987
Molecular FormulaC71H72N4O
Molecular Weight997.38 g/mol
Exact Mass996.57
IUPAC Name2-[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
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)ccc65)c4)cc32)c1
InChIInChI=1S/C71H72N4O/c1-67(2,3)51-31-36-63-65(43-51)74(57-40-54(70(9,10)49-25-18-14-19-26-49)39-55(41-57)71(11,12)50-27-20-15-21-28-50)47-73(63)56-29-22-30-58(45-56)76-59-33-34-60-61-42-53(69(7,8)48-23-16-13-17-24-48)32-35-62(61)75(64(60)46-59)66-44-52(37-38-72-66)68(4,5)6/h13-46H,47H2,1-12H3
InChIKeyDHQKWROTKWGEBL-UHFFFAOYSA-N
XLogP18.79
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.38
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
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
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
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 160881164
6-tert-butyl-2-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652666
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
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
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
6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158818639
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)ccc65)c4)cc32)c1.
What is the InChIKey of 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?
The InChIKey is DHQKWROTKWGEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72N4O/c1-67(2,3)51-31-36-63-65(43-51)74(57-40-54(70(9,10)49-25-18-14-19-26-49)39-55(41-57)71(11,12)50-27-20-15-21-28-50)47-73(63)56-29-22-30-58(45-56)76-59-33-34-60-61-42-53(69(7,8)48-23-16-13-17-24-48)32-35-62(61)75(64(60)46-59)66-44-52(37-38-72-66)68(4,5)6/h13-46H,47H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 997.38 g/mol, XLogP of 18.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).