CID 153465681

C50H28N6Pt — CID 153465681

IUPAC—
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccn3)c12
InChIInChI=1S/C50H28N6.Pt/c1-2-10-31(11-3-1)36-17-20-45-40(22-36)39-19-18-38(28-47(39)56(45)49-16-8-9-21-51-49)55-46-26-35-15-7-4-12-32(35)23-41(46)50-48(55)27-37(29-53-50)44-30-52-42-24-33-13-5-6-14-34(33)25-43(42)54-44;/h1-26,29-30H;/q-2;+2
InChIKeyTWSLJGPBYYQGLE-UHFFFAOYSA-N
MW907.89 g/mol
LogP11.85
Rot. Bonds4

About CID 153465681

CID 153465681 (PubChem CID 153465681) has the molecular formula C50H28N6Pt and a molecular weight of 907.89 g/mol.

Molecular Properties

Compound NameCID 153465681
PubChem CID153465681
Molecular FormulaC50H28N6Pt
Molecular Weight907.89 g/mol
Exact Mass907.20
IUPAC Name—
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccn3)c12
InChIInChI=1S/C50H28N6.Pt/c1-2-10-31(11-3-1)36-17-20-45-40(22-36)39-19-18-38(28-47(39)56(45)49-16-8-9-21-51-49)55-46-26-35-15-7-4-12-32(35)23-41(46)50-48(55)27-37(29-53-50)44-30-52-42-24-33-13-5-6-14-34(33)25-43(42)54-44;/h1-26,29-30H;/q-2;+2
InChIKeyTWSLJGPBYYQGLE-UHFFFAOYSA-N
XLogP11.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.89
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 153465649
CID 153465649
CID 160977316
CID 160977316
platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
CID 153465712
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
CID 153465705
CID 164701917
CID 164701917
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 160599862
2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285405
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153285370
9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)-8H-pyrido[2,3-b]indol-8-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-6-naphthalen-2-yl-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-7-naphthalen-2-yl-1H-carbazol-1-ide;tris(platinum(2+))
CID 158200684
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990

Frequently Asked Questions

What is the IUPAC name of CID 153465681?
The IUPAC name of CID 153465681 (CID 153465681) is not available.
What is the SMILES notation for CID 153465681?
The canonical SMILES for CID 153465681 is [Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccn3)c12.
What is the InChIKey of CID 153465681?
The InChIKey is TWSLJGPBYYQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6.Pt/c1-2-10-31(11-3-1)36-17-20-45-40(22-36)39-19-18-38(28-47(39)56(45)49-16-8-9-21-51-49)55-46-26-35-15-7-4-12-32(35)23-41(46)50-48(55)27-37(29-53-50)44-30-52-42-24-33-13-5-6-14-34(33)25-43(42)54-44;/h1-26,29-30H;/q-2;+2.
What are the key properties of CID 153465681?
CID 153465681 has a molecular weight of 907.89 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153465681 is sourced from PubChem (CID 153465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).