5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole

C72H64N4O2 — CID 176641804

IUPAC5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(C)c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C(C)C)cccc4C(C)C)c3)c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C72H64N4O2/c1-44(2)55-26-20-27-56(45(3)4)68(55)50-38-52(74-43-75(61-29-18-17-28-60(61)74)70-66(48-21-12-10-13-22-48)46(5)37-47(6)67(70)49-23-14-11-15-24-49)41-54(39-50)77-53-31-32-59-63(42-53)76(65-40-51(35-36-73-65)72(7,8)9)62-34-33-58-57-25-16-19-30-64(57)78-71(58)69(59)62/h10-42,44-45H,43H2,1-9H3
InChIKeyYGZAHGHRRWBMMO-UHFFFAOYSA-N
MW1017.33 g/mol
LogP20.28
Rot. Bonds10

About 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole

5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole (PubChem CID 176641804) has the molecular formula C72H64N4O2 and a molecular weight of 1017.33 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole
PubChem CID176641804
Molecular FormulaC72H64N4O2
Molecular Weight1017.33 g/mol
Exact Mass1016.50
IUPAC Name5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(C)c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C(C)C)cccc4C(C)C)c3)c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C72H64N4O2/c1-44(2)55-26-20-27-56(45(3)4)68(55)50-38-52(74-43-75(61-29-18-17-28-60(61)74)70-66(48-21-12-10-13-22-48)46(5)37-47(6)67(70)49-23-14-11-15-24-49)41-54(39-50)77-53-31-32-59-63(42-53)76(65-40-51(35-36-73-65)72(7,8)9)62-34-33-58-57-25-16-19-30-64(57)78-71(58)69(59)62/h10-42,44-45H,43H2,1-9H3
InChIKeyYGZAHGHRRWBMMO-UHFFFAOYSA-N
XLogP20.28
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.33
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

3-[3-[3-[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641810
3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176642270
3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641735
3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641839
5-(4-tert-butyl-2-pyridinyl)-3-[3-tert-butyl-5-[3-[3,4,5-trimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176642372
3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641760
5-(4-tert-butyl-2-pyridinyl)-3-[3-(2,6-ditert-butylphenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176642193
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172531668
2-[3-(2-tert-butyl-6-propan-2-ylphenyl)-5-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 168830495
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-[2,6-di(propan-2-yl)phenyl]phenyl]-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
CID 155651318
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 157225514

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole (CID 176641804) is 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole is Cc1cc(C)c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C(C)C)cccc4C(C)C)c3)c3ccccc32)c1-c1ccccc1.
What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YGZAHGHRRWBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N4O2/c1-44(2)55-26-20-27-56(45(3)4)68(55)50-38-52(74-43-75(61-29-18-17-28-60(61)74)70-66(48-21-12-10-13-22-48)46(5)37-47(6)67(70)49-23-14-11-15-24-49)41-54(39-50)77-53-31-32-59-63(42-53)76(65-40-51(35-36-73-65)72(7,8)9)62-34-33-58-57-25-16-19-30-64(57)78-71(58)69(59)62/h10-42,44-45H,43H2,1-9H3.
What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole?
5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1017.33 g/mol, XLogP of 20.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176641804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).