5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole

C50H44N8O2 — CID 154592457

IUPAC5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5ccnc5)c4)ccc3c3c2c2ccc(Oc4cccc(-n5ccnc5)c4)cc2n3-c2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C50H44N8O2/c1-49(2,3)33-17-19-53-45(25-33)57-43-29-39(59-37-11-7-9-35(27-37)55-23-21-51-31-55)13-15-41(43)48-47(57)42-16-14-40(60-38-12-8-10-36(28-38)56-24-22-52-32-56)30-44(42)58(48)46-26-34(18-20-54-46)50(4,5)6/h7-32H,1-6H3
InChIKeyCEYUFALYTGXLDH-UHFFFAOYSA-N
MW788.96 g/mol
LogP12.07
Rot. Bonds8

About 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole

5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole (PubChem CID 154592457) has the molecular formula C50H44N8O2 and a molecular weight of 788.96 g/mol. Its IUPAC name is 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole.

Molecular Properties

Compound Name5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole
PubChem CID154592457
Molecular FormulaC50H44N8O2
Molecular Weight788.96 g/mol
Exact Mass788.36
IUPAC Name5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5ccnc5)c4)ccc3c3c2c2ccc(Oc4cccc(-n5ccnc5)c4)cc2n3-c2cc(C(C)(C)C)ccn2)c1
InChIInChI=1S/C50H44N8O2/c1-49(2,3)33-17-19-53-45(25-33)57-43-29-39(59-37-11-7-9-35(27-37)55-23-21-51-31-55)13-15-41(43)48-47(57)42-16-14-40(60-38-12-8-10-36(28-38)56-24-22-52-32-56)30-44(42)58(48)46-26-34(18-20-54-46)50(4,5)6/h7-32H,1-6H3
InChIKeyCEYUFALYTGXLDH-UHFFFAOYSA-N
XLogP12.07
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.96
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole?
The IUPAC name of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole (CID 154592457) is 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole.
What is the SMILES notation for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole?
The canonical SMILES for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(-n5ccnc5)c4)ccc3c3c2c2ccc(Oc4cccc(-n5ccnc5)c4)cc2n3-c2cc(C(C)(C)C)ccn2)c1.
What is the InChIKey of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole?
The InChIKey is CEYUFALYTGXLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N8O2/c1-49(2,3)33-17-19-53-45(25-33)57-43-29-39(59-37-11-7-9-35(27-37)55-23-21-51-31-55)13-15-41(43)48-47(57)42-16-14-40(60-38-12-8-10-36(28-38)56-24-22-52-32-56)30-44(42)58(48)46-26-34(18-20-54-46)50(4,5)6/h7-32H,1-6H3.
What are the key properties of 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole?
5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole has a molecular weight of 788.96 g/mol, XLogP of 12.07, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(4-tert-butyl-2-pyridinyl)-2,7-bis(3-imidazol-1-ylphenoxy)indolo[3,2-b]indole is sourced from PubChem (CID 154592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).