2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine

C59H66N4O — CID 138559355

IUPAC2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine
SMILESCC(C)Cc1cccc(CC(C)C)c1Nc1ccccc1Nc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C59H66N4O/c1-37(2)30-41-18-16-19-42(31-38(3)4)58(41)62-53-24-14-13-23-52(53)61-45-32-43(57-48(39(5)6)21-17-22-49(57)40(7)8)33-47(35-45)64-46-26-27-51-50-20-12-15-25-54(50)63(55(51)36-46)56-34-44(28-29-60-56)59(9,10)11/h12-29,32-40,61-62H,30-31H2,1-11H3
InChIKeyCGTMPBGFBUXYME-UHFFFAOYSA-N
MW847.20 g/mol
LogP17.07
Rot. Bonds14

About 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine

2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine (PubChem CID 138559355) has the molecular formula C59H66N4O and a molecular weight of 847.20 g/mol. Its IUPAC name is 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine
PubChem CID138559355
Molecular FormulaC59H66N4O
Molecular Weight847.20 g/mol
Exact Mass846.52
IUPAC Name2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine
SMILESCC(C)Cc1cccc(CC(C)C)c1Nc1ccccc1Nc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C59H66N4O/c1-37(2)30-41-18-16-19-42(31-38(3)4)58(41)62-53-24-14-13-23-52(53)61-45-32-43(57-48(39(5)6)21-17-22-49(57)40(7)8)33-47(35-45)64-46-26-27-51-50-20-12-15-25-54(50)63(55(51)36-46)56-34-44(28-29-60-56)59(9,10)11/h12-29,32-40,61-62H,30-31H2,1-11H3
InChIKeyCGTMPBGFBUXYME-UHFFFAOYSA-N
XLogP17.07
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.20
LogP ≤ 517.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine with MolForge

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Related Compounds

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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 155652369
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157334163
2-[3-[4-(2-tert-butylphenyl)-2,3-dihydroquinoxalin-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 168805636
2-[3-[4-[2,6-bis(2-methylpropyl)phenyl]pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413298
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[2,6-di(propan-2-yl)phenyl]-5-(5-phenylcyclohexa-2,4-dien-1-yl)phenoxy]carbazole
CID 175868734
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dimethylphenyl)benzimidazol-3-ium-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole chloride
CID 138559328
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490
(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]-4-(2,4-dimethylpentan-3-yl)-4-methyl-5H-1,3-oxazole
CID 170933021
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-[2-(3,5-difluorophenyl)phenyl]benzimidazole-1,3-diium-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172531161

Frequently Asked Questions

What is the IUPAC name of 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine (CID 138559355) is 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine is CC(C)Cc1cccc(CC(C)C)c1Nc1ccccc1Nc1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-c2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine?
The InChIKey is CGTMPBGFBUXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H66N4O/c1-37(2)30-41-18-16-19-42(31-38(3)4)58(41)62-53-24-14-13-23-52(53)61-45-32-43(57-48(39(5)6)21-17-22-49(57)40(7)8)33-47(35-45)64-46-26-27-51-50-20-12-15-25-54(50)63(55(51)36-46)56-34-44(28-29-60-56)59(9,10)11/h12-29,32-40,61-62H,30-31H2,1-11H3.
What are the key properties of 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine?
2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine has a molecular weight of 847.20 g/mol, XLogP of 17.07, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2,6-bis(2-methylpropyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]phenyl]benzene-1,2-diamine is sourced from PubChem (CID 138559355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).