3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum

C62H62N4O2Pt — CID 155610040

IUPAC3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccc(/C=N/c3cccc4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C62H62N4O2.Pt/c1-59(2,3)38-19-25-52-46(30-38)47-31-39(60(4,5)6)20-26-53(47)65(52)43-23-24-45(56(67)34-43)50-17-14-16-42(64-50)36-63-51-18-13-15-37-29-44(35-57(68)58(37)51)66-54-27-21-40(61(7,8)9)32-48(54)49-33-41(62(10,11)12)22-28-55(49)66;/h13-36,67-68H,1-12H3;/b63-36+;
InChIKeyIXXYGUHBUSCTMO-UHWTWMLRSA-N
MW1090.28 g/mol
LogP16.45
Rot. Bonds5

About 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum

3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (PubChem CID 155610040) has the molecular formula C62H62N4O2Pt and a molecular weight of 1090.28 g/mol. Its IUPAC name is 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.

Molecular Properties

Compound Name3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
PubChem CID155610040
Molecular FormulaC62H62N4O2Pt
Molecular Weight1090.28 g/mol
Exact Mass1089.45
IUPAC Name3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccc(/C=N/c3cccc4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C62H62N4O2.Pt/c1-59(2,3)38-19-25-52-46(30-38)47-31-39(60(4,5)6)20-26-53(47)65(52)43-23-24-45(56(67)34-43)50-17-14-16-42(64-50)36-63-51-18-13-15-37-29-44(35-57(68)58(37)51)66-54-27-21-40(61(7,8)9)32-48(54)49-33-41(62(10,11)12)22-28-55(49)66;/h13-36,67-68H,1-12H3;/b63-36+;
InChIKeyIXXYGUHBUSCTMO-UHWTWMLRSA-N
XLogP16.45
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.28
LogP ≤ 516.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R,12S,19S)-12-ethyl-6-[(15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraen-3-ol
CID 134153515
3-[[(4-Hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-4-ol
CID 46702394
9-Ethyl-3-[[(9-ethyl-4-hydroxycarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]carbazol-4-ol
CID 46702395
3-[[(4-Hydroxy-9-prop-2-enylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-prop-2-enylcarbazol-4-ol
CID 46702396
3-[[[4-Hydroxy-9-(3-methylbut-2-enyl)carbazol-3-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]-9-(3-methylbut-2-enyl)carbazol-4-ol
CID 46702397
3-[[(2-Hydroxy-9-methylcarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]-9-methylcarbazol-2-ol
CID 46704261
6-[15-(1,1-Difluoroethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8-tetraen-3-ol
CID 89136987
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170542314
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[3-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676681
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[3-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676709
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676719
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[4-[9-[4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170676729

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The IUPAC name of 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (CID 155610040) is 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.
What is the SMILES notation for 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The canonical SMILES for 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cccc(/C=N/c3cccc4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc(O)c34)n2)c(O)c1.[Pt].
What is the InChIKey of 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The InChIKey is IXXYGUHBUSCTMO-UHWTWMLRSA-N. The full InChI is InChI=1S/C62H62N4O2.Pt/c1-59(2,3)38-19-25-52-46(30-38)47-31-39(60(4,5)6)20-26-53(47)65(52)43-23-24-45(56(67)34-43)50-17-14-16-42(64-50)36-63-51-18-13-15-37-29-44(35-57(68)58(37)51)66-54-27-21-40(61(7,8)9)32-48(54)49-33-41(62(10,11)12)22-28-55(49)66;/h13-36,67-68H,1-12H3;/b63-36+;.
What are the key properties of 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum has a molecular weight of 1090.28 g/mol, XLogP of 16.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is sourced from PubChem (CID 155610040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).