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

C65H58N4O2 — CID 176642372

IUPAC5-(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
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H58N4O2/c1-40-41(2)59(43-20-12-10-13-21-43)62(60(42(40)3)44-22-14-11-15-23-44)68-39-67(53-25-17-18-26-54(53)68)47-34-46(65(7,8)9)35-49(37-47)70-48-28-29-52-56(38-48)69(58-36-45(32-33-66-58)64(4,5)6)55-31-30-51-50-24-16-19-27-57(50)71-63(51)61(52)55/h10-38H,39H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D
InChIKeyJQNSUHVLUSSAHO-MQKAKTJGSA-N
MW937.27 g/mol
LogP17.97
Rot. Bonds7

About 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

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 (PubChem CID 176642372) has the molecular formula C65H58N4O2 and a molecular weight of 937.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID176642372
Molecular FormulaC65H58N4O2
Molecular Weight937.27 g/mol
Exact Mass936.52
IUPAC Name5-(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
SMILES[2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C65H58N4O2/c1-40-41(2)59(43-20-12-10-13-21-43)62(60(42(40)3)44-22-14-11-15-23-44)68-39-67(53-25-17-18-26-54(53)68)47-34-46(65(7,8)9)35-49(37-47)70-48-28-29-52-56(38-48)69(58-36-45(32-33-66-58)64(4,5)6)55-31-30-51-50-24-16-19-27-57(50)71-63(51)61(52)55/h10-38H,39H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D
InChIKeyJQNSUHVLUSSAHO-MQKAKTJGSA-N
XLogP17.97
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.27
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[3-tert-butyl-5-[3-[2-(3,5-ditert-butylphenyl)-3,4,5-trimethyl-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole
CID 176641869
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-(2,6-ditert-butylphenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 176642003
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-[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
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-10-carbonitrile
CID 176641825
3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)-3,4,5-trimethylphenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole
CID 176642394
10-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-12-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-a]carbazole
CID 170677126
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2c(C)c(C)c(C)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6c7oc8ccccc8c7ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is JQNSUHVLUSSAHO-MQKAKTJGSA-N. The full InChI is InChI=1S/C65H58N4O2/c1-40-41(2)59(43-20-12-10-13-21-43)62(60(42(40)3)44-22-14-11-15-23-44)68-39-67(53-25-17-18-26-54(53)68)47-34-46(65(7,8)9)35-49(37-47)70-48-28-29-52-56(38-48)69(58-36-45(32-33-66-58)64(4,5)6)55-31-30-51-50-24-16-19-27-57(50)71-63(51)61(52)55/h10-38H,39H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D.
What are the key properties of 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?
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 has a molecular weight of 937.27 g/mol, XLogP of 17.97, 7 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-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 is sourced from PubChem (CID 176642372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).