1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine

C73H67N5O — CID 169031566

IUPAC1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2Nc2ccccc2Nc2cc(Oc3ccc4c(c3)n(-c3cc(C(C)(C)C)ccn3)c3c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C73H67N5O/c1-71(2,3)52-38-39-74-67(45-52)78-66-47-57(36-37-62(66)69-70(78)61-30-19-22-35-65(61)77(69)56-28-17-12-18-29-56)79-58-43-50(48-24-13-10-14-25-48)42-55(46-58)75-63-33-20-21-34-64(63)76-68-59(49-26-15-11-16-27-49)31-23-32-60(68)51-40-53(72(4,5)6)44-54(41-51)73(7,8)9/h10-47,75-76H,1-9H3/i11D,15D,16D,26D,27D
InChIKeyKPFKASIEHUIQHC-LDKRMGAMSA-N
MW1035.40 g/mol
LogP20.30
Rot. Bonds11

About 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine

1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine (PubChem CID 169031566) has the molecular formula C73H67N5O and a molecular weight of 1035.40 g/mol. Its IUPAC name is 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine
PubChem CID169031566
Molecular FormulaC73H67N5O
Molecular Weight1035.40 g/mol
Exact Mass1034.57
IUPAC Name1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2Nc2ccccc2Nc2cc(Oc3ccc4c(c3)n(-c3cc(C(C)(C)C)ccn3)c3c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C73H67N5O/c1-71(2,3)52-38-39-74-67(45-52)78-66-47-57(36-37-62(66)69-70(78)61-30-19-22-35-65(61)77(69)56-28-17-12-18-29-56)79-58-43-50(48-24-13-10-14-25-48)42-55(46-58)75-63-33-20-21-34-64(63)76-68-59(49-26-15-11-16-27-49)31-23-32-60(68)51-40-53(72(4,5)6)44-54(41-51)73(7,8)9/h10-47,75-76H,1-9H3/i11D,15D,16D,26D,27D
InChIKeyKPFKASIEHUIQHC-LDKRMGAMSA-N
XLogP20.30
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.40
LogP ≤ 520.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine 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

1-N-[3-[[9-(4-tert-butyl-2-pyridinyl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaen-6-yl]oxy]phenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 176844591
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031374
2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-phenylphenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031306
2-N-[4-tert-butyl-2,6-bis[4-fluoro-3,5-di(propan-2-yl)phenyl]phenyl]-1-N-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
CID 172530436
CID 171046642
CID 171046642
1-N-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine
CID 172530682
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-phenylcarbazol-1-yl]-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176781972
CID 171046870
CID 171046870
2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 170780328
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-[3-[9-(4-tert-butyl-2-pyridinyl)-6-(3,5-ditert-butylphenyl)carbazol-2-yl]oxyphenyl]-6-phenyl-2H-[1]benzofuro[2,3-f]benzimidazol-3-ium-2-ide
CID 176623612
CID 164733886
CID 164733886
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine (CID 169031566) is 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine is [2H]c1c([2H])c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2Nc2ccccc2Nc2cc(Oc3ccc4c(c3)n(-c3cc(C(C)(C)C)ccn3)c3c5ccccc5n(-c5ccccc5)c43)cc(-c3ccccc3)c2)c([2H])c1[2H].
What is the InChIKey of 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine?
The InChIKey is KPFKASIEHUIQHC-LDKRMGAMSA-N. The full InChI is InChI=1S/C73H67N5O/c1-71(2,3)52-38-39-74-67(45-52)78-66-47-57(36-37-62(66)69-70(78)61-30-19-22-35-65(61)77(69)56-28-17-12-18-29-56)79-58-43-50(48-24-13-10-14-25-48)42-55(46-58)75-63-33-20-21-34-64(63)76-68-59(49-26-15-11-16-27-49)31-23-32-60(68)51-40-53(72(4,5)6)44-54(41-51)73(7,8)9/h10-47,75-76H,1-9H3/i11D,15D,16D,26D,27D.
What are the key properties of 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine?
1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine has a molecular weight of 1035.40 g/mol, XLogP of 20.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indol-2-yl]oxy-5-phenylphenyl]-2-N-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 169031566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).