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

C62H72N4O — CID 169056544

IUPAC4-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
SMILESCN(c1cccc(Oc2ccc3c4ccc(C(C)(C)C)cc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1)c1ccc(C(C)(C)C)cc1Nc1cc(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H72N4O/c1-58(2,3)42-22-20-40(21-23-42)41-32-46(62(13,14)15)34-47(33-41)64-53-35-43(59(4,5)6)25-29-54(53)65(16)48-18-17-19-49(38-48)67-50-26-28-52-51-27-24-44(60(7,8)9)36-55(51)66(56(52)39-50)57-37-45(30-31-63-57)61(10,11)12/h17-39,64H,1-16H3
InChIKeyUCONCZQSHWOBRV-UHFFFAOYSA-N
MW889.28 g/mol
LogP17.64
Rot. Bonds8

About 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

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 (PubChem CID 169056544) has the molecular formula C62H72N4O and a molecular weight of 889.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID169056544
Molecular FormulaC62H72N4O
Molecular Weight889.28 g/mol
Exact Mass888.57
IUPAC Name4-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
SMILESCN(c1cccc(Oc2ccc3c4ccc(C(C)(C)C)cc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1)c1ccc(C(C)(C)C)cc1Nc1cc(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H72N4O/c1-58(2,3)42-22-20-40(21-23-42)41-32-46(62(13,14)15)34-47(33-41)64-53-35-43(59(4,5)6)25-29-54(53)65(16)48-18-17-19-49(38-48)67-50-26-28-52-51-27-24-44(60(7,8)9)36-55(51)66(56(52)39-50)57-37-45(30-31-63-57)61(10,11)12/h17-39,64H,1-16H3
InChIKeyUCONCZQSHWOBRV-UHFFFAOYSA-N
XLogP17.64
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.28
LogP ≤ 517.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-N-methyl-5-(9,9'-spirobi[fluorene]-2-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2(7),3,5,8,10,12,14(19),15,17,21,23-dodecaen-18-amine
CID 177303365
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490
CID 167382266
CID 167382266
CID 167382438
CID 167382438
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
2-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyanilino]-N-methylbenzamide
CID 166808421
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-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651858
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155652409
6-tert-butyl-2-[3-[6-tert-butyl-3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651359

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1cccc(Oc2ccc3c4ccc(C(C)(C)C)cc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1)c1ccc(C(C)(C)C)cc1Nc1cc(-c2ccc(C(C)(C)C)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is UCONCZQSHWOBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H72N4O/c1-58(2,3)42-22-20-40(21-23-42)41-32-46(62(13,14)15)34-47(33-41)64-53-35-43(59(4,5)6)25-29-54(53)65(16)48-18-17-19-49(38-48)67-50-26-28-52-51-27-24-44(60(7,8)9)36-55(51)66(56(52)39-50)57-37-45(30-31-63-57)61(10,11)12/h17-39,64H,1-16H3.
What are the key properties of 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?
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 has a molecular weight of 889.28 g/mol, XLogP of 17.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169056544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).