CID 153465649

C56H32N6Pt — CID 153465649

IUPAC—
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3ccc(-c4ccccc4)cc3n(-c3cc(-c4ccccc4)ccn3)c12
InChIInChI=1S/C56H32N6.Pt/c1-3-11-35(12-4-1)41-19-21-45-46-22-20-44(32-53(46)62(51(45)29-41)55-31-42(23-24-57-55)36-13-5-2-6-14-36)61-52-28-40-18-10-7-15-37(40)25-47(52)56-54(61)30-43(33-59-56)50-34-58-48-26-38-16-8-9-17-39(38)27-49(48)60-50;/h1-29,31,33-34H;/q-2;+2
InChIKeyWHEHOTOESXSQMV-UHFFFAOYSA-N
MW983.99 g/mol
LogP13.52
Rot. Bonds5

About CID 153465649

CID 153465649 (PubChem CID 153465649) has the molecular formula C56H32N6Pt and a molecular weight of 983.99 g/mol.

Molecular Properties

Compound NameCID 153465649
PubChem CID153465649
Molecular FormulaC56H32N6Pt
Molecular Weight983.99 g/mol
Exact Mass983.23
IUPAC Name—
SMILES[Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3ccc(-c4ccccc4)cc3n(-c3cc(-c4ccccc4)ccn3)c12
InChIInChI=1S/C56H32N6.Pt/c1-3-11-35(12-4-1)41-19-21-45-46-22-20-44(32-53(46)62(51(45)29-41)55-31-42(23-24-57-55)36-13-5-2-6-14-36)61-52-28-40-18-10-7-15-37(40)25-47(52)56-54(61)30-43(33-59-56)50-34-58-48-26-38-16-8-9-17-39(38)27-49(48)60-50;/h1-29,31,33-34H;/q-2;+2
InChIKeyWHEHOTOESXSQMV-UHFFFAOYSA-N
XLogP13.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.99
LogP ≤ 513.52
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 153465681
CID 153465681
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
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
3-phenyl-7-(4-phenyl-2-pyridinyl)-5-(3-pyridin-2-yloxybenzene-2-id-1-yl)-6H-indolo[2,3-b]carbazol-6-ide;platinum(2+)
CID 155790261
2-(1-methylbenzimidazol-2-yl)-9-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285522
CID 164701917
CID 164701917
2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzo[g]quinolin-10-ol;platinum
CID 176606872
26-[4-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]-2,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432708
9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
CID 86342842
2-(5-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(5-phenylimidazo[1,2-a]imidazol-7-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 169077365

Frequently Asked Questions

What is the IUPAC name of CID 153465649?
The IUPAC name of CID 153465649 (CID 153465649) is not available.
What is the SMILES notation for CID 153465649?
The canonical SMILES for CID 153465649 is [Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3ccc(-c4ccccc4)cc3n(-c3cc(-c4ccccc4)ccn3)c12.
What is the InChIKey of CID 153465649?
The InChIKey is WHEHOTOESXSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6.Pt/c1-3-11-35(12-4-1)41-19-21-45-46-22-20-44(32-53(46)62(51(45)29-41)55-31-42(23-24-57-55)36-13-5-2-6-14-36)61-52-28-40-18-10-7-15-37(40)25-47(52)56-54(61)30-43(33-59-56)50-34-58-48-26-38-16-8-9-17-39(38)27-49(48)60-50;/h1-29,31,33-34H;/q-2;+2.
What are the key properties of CID 153465649?
CID 153465649 has a molecular weight of 983.99 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153465649 is sourced from PubChem (CID 153465649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).