3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine

C55H59N5O — CID 169057134

IUPAC3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine
SMILESCc1cccc(C)c1-c1cccc(Nc2ccncc2N(C)c2cc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C55H59N5O/c1-35-15-13-16-36(2)52(35)37-17-14-18-41(27-37)58-47-24-25-56-34-50(47)59(12)42-28-40(55(9,10)11)29-44(32-42)61-43-20-22-46-45-21-19-38(53(3,4)5)30-48(45)60(49(46)33-43)51-31-39(23-26-57-51)54(6,7)8/h13-34H,1-12H3,(H,56,58)
InChIKeyJWKJAFSWNWBMLO-UHFFFAOYSA-N
MW806.11 g/mol
LogP15.05
Rot. Bonds8

About 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine

3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine (PubChem CID 169057134) has the molecular formula C55H59N5O and a molecular weight of 806.11 g/mol. Its IUPAC name is 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine
PubChem CID169057134
Molecular FormulaC55H59N5O
Molecular Weight806.11 g/mol
Exact Mass805.47
IUPAC Name3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine
SMILESCc1cccc(C)c1-c1cccc(Nc2ccncc2N(C)c2cc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C55H59N5O/c1-35-15-13-16-36(2)52(35)37-17-14-18-41(27-37)58-47-24-25-56-34-50(47)59(12)42-28-40(55(9,10)11)29-44(32-42)61-43-20-22-46-45-21-19-38(53(3,4)5)30-48(45)60(49(46)33-43)51-31-39(23-26-57-51)54(6,7)8/h13-34H,1-12H3,(H,56,58)
InChIKeyJWKJAFSWNWBMLO-UHFFFAOYSA-N
XLogP15.05
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.11
LogP ≤ 515.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine with MolForge

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Related Compounds

4-tert-butyl-2-N-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-1-N-[3-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-N-methylbenzene-1,2-diamine
CID 169056544
2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413715
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N,4,5-tris(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782780
CID 167382638
CID 167382638
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490
5-N-tert-butyl-4-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,5-diamine
CID 176735542
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]carbazole
CID 167381600
2-tert-butyl-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-7-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 163754768
1-N-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 170271181
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414962

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine?
The IUPAC name of 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine (CID 169057134) is 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine is Cc1cccc(C)c1-c1cccc(Nc2ccncc2N(C)c2cc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine?
The InChIKey is JWKJAFSWNWBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H59N5O/c1-35-15-13-16-36(2)52(35)37-17-14-18-41(27-37)58-47-24-25-56-34-50(47)59(12)42-28-40(55(9,10)11)29-44(32-42)61-43-20-22-46-45-21-19-38(53(3,4)5)30-48(45)60(49(46)33-43)51-31-39(23-26-57-51)54(6,7)8/h13-34H,1-12H3,(H,56,58).
What are the key properties of 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine?
3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine has a molecular weight of 806.11 g/mol, XLogP of 15.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-tert-butyl-5-[7-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-N-[3-(2,6-dimethylphenyl)phenyl]-3-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 169057134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).