CID 155650066

C37H29N3O2PtS — CID 155650066

IUPAC—
SMILESCC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)oc4sc6cc(C(C)(C)C)cnc6c45)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C37H29N3O2S.Pt/c1-21(2)22-14-15-38-33(16-22)40-29-9-7-6-8-26(29)27-12-10-25(19-30(27)40)41-24-11-13-31-28(18-24)34-35-32(43-36(34)42-31)17-23(20-39-35)37(3,4)5;/h6-17,20-21H,1-5H3;/q-2;+2
InChIKeyDODVIAWTHIOZEI-UHFFFAOYSA-N
MW774.80 g/mol
LogP10.50
Rot. Bonds4

About CID 155650066

CID 155650066 (PubChem CID 155650066) has the molecular formula C37H29N3O2PtS and a molecular weight of 774.80 g/mol.

Molecular Properties

Compound NameCID 155650066
PubChem CID155650066
Molecular FormulaC37H29N3O2PtS
Molecular Weight774.80 g/mol
Exact Mass774.16
IUPAC Name—
SMILESCC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)oc4sc6cc(C(C)(C)C)cnc6c45)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C37H29N3O2S.Pt/c1-21(2)22-14-15-38-33(16-22)40-29-9-7-6-8-26(29)27-12-10-25(19-30(27)40)41-24-11-13-31-28(18-24)34-35-32(43-36(34)42-31)17-23(20-39-35)37(3,4)5;/h6-17,20-21H,1-5H3;/q-2;+2
InChIKeyDODVIAWTHIOZEI-UHFFFAOYSA-N
XLogP10.50
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.80
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-14-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-10-oxa-8-thia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 155650067
CID 155650077
CID 155650077
CID 155649934
CID 155649934
platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol
CID 176606556
2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414155
5-tert-butyl-14-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-8,10-dioxa-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 155650069
2-[3-tert-butyl-5-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413816
4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606282
platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide
CID 176635697
2-[3-[4-[3,5-dimethyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414939
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153414635
10-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
CID 176782344

Frequently Asked Questions

What is the IUPAC name of CID 155650066?
The IUPAC name of CID 155650066 (CID 155650066) is not available.
What is the SMILES notation for CID 155650066?
The canonical SMILES for CID 155650066 is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)oc4sc6cc(C(C)(C)C)cnc6c45)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of CID 155650066?
The InChIKey is DODVIAWTHIOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O2S.Pt/c1-21(2)22-14-15-38-33(16-22)40-29-9-7-6-8-26(29)27-12-10-25(19-30(27)40)41-24-11-13-31-28(18-24)34-35-32(43-36(34)42-31)17-23(20-39-35)37(3,4)5;/h6-17,20-21H,1-5H3;/q-2;+2.
What are the key properties of CID 155650066?
CID 155650066 has a molecular weight of 774.80 g/mol, XLogP of 10.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155650066 is sourced from PubChem (CID 155650066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).