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

C60H60N4O — CID 176782780

IUPAC1-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
SMILESCc1cc(C)c(Nc2cc(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)cc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(C)c1
InChIInChI=1S/C60H60N4O/c1-35-24-38(4)57(39(5)25-35)50-33-52(53(63-59-42(8)28-37(3)29-43(59)9)34-51(50)58-40(6)26-36(2)27-41(58)7)62-45-16-15-17-46(31-45)65-47-20-21-49-48-18-13-14-19-54(48)64(55(49)32-47)56-30-44(22-23-61-56)60(10,11)12/h13-34,62-63H,1-12H3
InChIKeyHIHJWNAUADZRDD-UHFFFAOYSA-N
MW853.17 g/mol
LogP16.87
Rot. Bonds9

About 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

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 (PubChem CID 176782780) has the molecular formula C60H60N4O and a molecular weight of 853.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID176782780
Molecular FormulaC60H60N4O
Molecular Weight853.17 g/mol
Exact Mass852.48
IUPAC Name1-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
SMILESCc1cc(C)c(Nc2cc(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)cc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(C)c1
InChIInChI=1S/C60H60N4O/c1-35-24-38(4)57(39(5)25-35)50-33-52(53(63-59-42(8)28-37(3)29-43(59)9)34-51(50)58-40(6)26-36(2)27-41(58)7)62-45-16-15-17-46(31-45)65-47-20-21-49-48-18-13-14-19-54(48)64(55(49)32-47)56-30-44(22-23-61-56)60(10,11)12/h13-34,62-63H,1-12H3
InChIKeyHIHJWNAUADZRDD-UHFFFAOYSA-N
XLogP16.87
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.17
LogP ≤ 516.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-N-[3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-a]carbazol-10-yl]oxy]phenyl]-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782200
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
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
3-N-[4-tert-butyl-2,6-bis(2,5-ditert-butylphenyl)phenyl]-2-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyridine-2,3-diamine
CID 176782540
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
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-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782429
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 177105125
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
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
2-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyanilino]-N-methylbenzamide
CID 166808421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c(Nc2cc(-c3c(C)cc(C)cc3C)c(-c3c(C)cc(C)cc3C)cc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is HIHJWNAUADZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N4O/c1-35-24-38(4)57(39(5)25-35)50-33-52(53(63-59-42(8)28-37(3)29-43(59)9)34-51(50)58-40(6)26-36(2)27-41(58)7)62-45-16-15-17-46(31-45)65-47-20-21-49-48-18-13-14-19-54(48)64(55(49)32-47)56-30-44(22-23-61-56)60(10,11)12/h13-34,62-63H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 853.17 g/mol, XLogP of 16.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176782780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).