2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum

C78H58N4O2Pt — CID 58850566

IUPAC2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum
SMILESCCC(CC(C)c1ccc(-c2cc(-c3ccccc3O)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4O)nc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.[Pt]
InChIInChI=1S/C78H58N4O2.Pt/c1-3-50(56-37-44-74-68(46-56)61-21-9-14-26-73(61)82(74)58-40-35-53(36-41-58)52-33-38-57(39-34-52)81-71-24-12-7-19-59(71)60-20-8-13-25-72(60)81)45-49(2)51-29-31-55(32-30-51)67-48-70(65-23-11-16-28-76(65)84)80-78-63(67)43-42-62-66(54-17-5-4-6-18-54)47-69(79-77(62)78)64-22-10-15-27-75(64)83;/h4-44,46-50,83-84H,3,45H2,1-2H3;
InChIKeyUYIROGSKIWSKOS-UHFFFAOYSA-N
MW1278.43 g/mol
LogP20.41
Rot. Bonds12

About 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum

2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum (PubChem CID 58850566) has the molecular formula C78H58N4O2Pt and a molecular weight of 1278.43 g/mol. Its IUPAC name is 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum
PubChem CID58850566
Molecular FormulaC78H58N4O2Pt
Molecular Weight1278.43 g/mol
Exact Mass1277.42
IUPAC Name2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum
SMILESCCC(CC(C)c1ccc(-c2cc(-c3ccccc3O)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4O)nc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.[Pt]
InChIInChI=1S/C78H58N4O2.Pt/c1-3-50(56-37-44-74-68(46-56)61-21-9-14-26-73(61)82(74)58-40-35-53(36-41-58)52-33-38-57(39-34-52)81-71-24-12-7-19-59(71)60-20-8-13-25-72(60)81)45-49(2)51-29-31-55(32-30-51)67-48-70(65-23-11-16-28-76(65)84)80-78-63(67)43-42-62-66(54-17-5-4-6-18-54)47-69(79-77(62)78)64-22-10-15-27-75(64)83;/h4-44,46-50,83-84H,3,45H2,1-2H3;
InChIKeyUYIROGSKIWSKOS-UHFFFAOYSA-N
XLogP20.41
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.43
LogP ≤ 520.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum with MolForge

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Related Compounds

Cobalt;4,18-ditert-butyl-11-[4-(trifluoromethyl)phenyl]-30,33,35-triaza-36-azanidaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol
CID 136069076
[Acetyloxy(phenyl)-lambda3-iodanyl] 2,2,2-trifluoroacetate;cobalt;bis(2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol);2,2,2-trifluoroacetic acid
CID 160123128
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
CID 135961655
Cu(dmp)2-CECR-2H2O-Benzene
CID 139138680
Cu(dmp)2-THPM
CID 139138681
Cu(dmp)2-THPE
CID 139138682
Cu(dmp)2-THIB
CID 139138683
Cu(dmp)2-2THPE-H2O
CID 139138684
Cu(dmp)2-THBE
CID 139138685
Manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
CID 139196571
Nickel(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
CID 139196572
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542354

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The IUPAC name of 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum (CID 58850566) is 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The canonical SMILES for 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum is CCC(CC(C)c1ccc(-c2cc(-c3ccccc3O)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4O)nc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.[Pt].
What is the InChIKey of 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The InChIKey is UYIROGSKIWSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58N4O2.Pt/c1-3-50(56-37-44-74-68(46-56)61-21-9-14-26-73(61)82(74)58-40-35-53(36-41-58)52-33-38-57(39-34-52)81-71-24-12-7-19-59(71)60-20-8-13-25-72(60)81)45-49(2)51-29-31-55(32-30-51)67-48-70(65-23-11-16-28-76(65)84)80-78-63(67)43-42-62-66(54-17-5-4-6-18-54)47-69(79-77(62)78)64-22-10-15-27-75(64)83;/h4-44,46-50,83-84H,3,45H2,1-2H3;.
What are the key properties of 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum?
2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum has a molecular weight of 1278.43 g/mol, XLogP of 20.41, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-9-(2-hydroxyphenyl)-4-phenyl-1,10-phenanthrolin-2-yl]phenol;platinum is sourced from PubChem (CID 58850566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).