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

C56H42N4O2Pt — CID 155609977

IUPAC4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C)cc6c6cc(C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C56H42N4O2.Pt/c1-33-13-19-50-43(25-33)44-26-34(2)14-20-51(44)59(50)40-17-18-41(55(62)31-40)48-30-38(37-9-6-5-7-10-37)29-39(58-48)32-57-47-12-8-11-42-49(23-24-54(61)56(42)47)60-52-21-15-35(3)27-45(52)46-28-36(4)16-22-53(46)60;/h5-32,61-62H,1-4H3;/b57-32+;
InChIKeyAFUZWUHAOJHSNL-AWOVHRSWSA-N
MW998.06 g/mol
LogP14.16
Rot. Bonds6

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

4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (PubChem CID 155609977) has the molecular formula C56H42N4O2Pt and a molecular weight of 998.06 g/mol. Its IUPAC name is 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.

Molecular Properties

Compound Name4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
PubChem CID155609977
Molecular FormulaC56H42N4O2Pt
Molecular Weight998.06 g/mol
Exact Mass997.30
IUPAC Name4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C)cc6c6cc(C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C56H42N4O2.Pt/c1-33-13-19-50-43(25-33)44-26-34(2)14-20-51(44)59(50)40-17-18-41(55(62)31-40)48-30-38(37-9-6-5-7-10-37)29-39(58-48)32-57-47-12-8-11-42-49(23-24-54(61)56(42)47)60-52-21-15-35(3)27-45(52)46-28-36(4)16-22-53(46)60;/h5-32,61-62H,1-4H3;/b57-32+;
InChIKeyAFUZWUHAOJHSNL-AWOVHRSWSA-N
XLogP14.16
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.06
LogP ≤ 514.16
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
2-[2-[4-[1-[2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol dichloride
CID 44276419
3-[2-[4-[1-[2-(10-hydroxy-7H-pyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[3,4-c]carbazol-3-ium-10-ol dichloride
CID 44276453
2-[2-[4-[1-[2-(10-hydroxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol dichloride
CID 44276523
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-Ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol
CID 155806996
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The IUPAC name of 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (CID 155609977) is 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.
What is the SMILES notation for 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The canonical SMILES for 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C)cc6c6cc(C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt].
What is the InChIKey of 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The InChIKey is AFUZWUHAOJHSNL-AWOVHRSWSA-N. The full InChI is InChI=1S/C56H42N4O2.Pt/c1-33-13-19-50-43(25-33)44-26-34(2)14-20-51(44)59(50)40-17-18-41(55(62)31-40)48-30-38(37-9-6-5-7-10-37)29-39(58-48)32-57-47-12-8-11-42-49(23-24-54(61)56(42)47)60-52-21-15-35(3)27-45(52)46-28-36(4)16-22-53(46)60;/h5-32,61-62H,1-4H3;/b57-32+;.
What are the key properties of 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum has a molecular weight of 998.06 g/mol, XLogP of 14.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylcarbazol-9-yl)-8-[[6-[4-(3,6-dimethylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is sourced from PubChem (CID 155609977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).