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

C68H66N4O2Pt — CID 155609967

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C68H66N4O2.Pt/c1-65(2,3)43-21-27-58-51(35-43)52-36-44(66(4,5)6)22-28-59(52)71(58)48-25-26-49(63(74)39-48)56-34-42(41-17-14-13-15-18-41)33-47(70-56)40-69-55-20-16-19-50-57(31-32-62(73)64(50)55)72-60-29-23-45(67(7,8)9)37-53(60)54-38-46(68(10,11)12)24-30-61(54)72;/h13-40,73-74H,1-12H3;/b69-40+;
InChIKeyXGPFIVIBYJOUTP-RTDHGAHYSA-N
MW1166.38 g/mol
LogP18.11
Rot. Bonds6

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

4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (PubChem CID 155609967) has the molecular formula C68H66N4O2Pt and a molecular weight of 1166.38 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
PubChem CID155609967
Molecular FormulaC68H66N4O2Pt
Molecular Weight1166.38 g/mol
Exact Mass1165.48
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt]
InChIInChI=1S/C68H66N4O2.Pt/c1-65(2,3)43-21-27-58-51(35-43)52-36-44(66(4,5)6)22-28-59(52)71(58)48-25-26-49(63(74)39-48)56-34-42(41-17-14-13-15-18-41)33-47(70-56)40-69-55-20-16-19-50-57(31-32-62(73)64(50)55)72-60-29-23-45(67(7,8)9)37-53(60)54-38-46(68(10,11)12)24-30-61(54)72;/h13-40,73-74H,1-12H3;/b69-40+;
InChIKeyXGPFIVIBYJOUTP-RTDHGAHYSA-N
XLogP18.11
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.38
LogP ≤ 518.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

Bisnicalaterine D
CID 54583796
(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
9-Ethyl-3-[[(9-ethyl-4-hydroxycarbazol-3-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]carbazol-4-ol
CID 46702395
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
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 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (CID 155609967) is 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3ccccc3)cc(/C=N/c3cccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc(O)c34)n2)c(O)c1.[Pt].
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
The InChIKey is XGPFIVIBYJOUTP-RTDHGAHYSA-N. The full InChI is InChI=1S/C68H66N4O2.Pt/c1-65(2,3)43-21-27-58-51(35-43)52-36-44(66(4,5)6)22-28-59(52)71(58)48-25-26-49(63(74)39-48)56-34-42(41-17-14-13-15-18-41)33-47(70-56)40-69-55-20-16-19-50-57(31-32-62(73)64(50)55)72-60-29-23-45(67(7,8)9)37-53(60)54-38-46(68(10,11)12)24-30-61(54)72;/h13-40,73-74H,1-12H3;/b69-40+;.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?
4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum has a molecular weight of 1166.38 g/mol, XLogP of 18.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-8-[[6-[4-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-phenyl-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is sourced from PubChem (CID 155609967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).