CID 155614515

C37H31N4OPt-3 — CID 155614515

IUPAC—
SMILESCN1C=NN(c2[c-]c(Oc3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5ccccc5-c5ccccc54)n3)ccc2)[CH-]1.[Pt]
InChIInChI=1S/C37H31N4O.Pt/c1-36(2,3)27-21-34(39-35(22-27)42-29-16-12-15-28(23-29)41-25-40(4)24-38-41)37(26-13-6-5-7-14-26)32-19-10-8-17-30(32)31-18-9-11-20-33(31)37;/h5-13,15-22,24-25H,1-4H3;/q-3;
InChIKeyCMQAOQTWMZFTTL-UHFFFAOYSA-N
MW742.76 g/mol
LogP7.95
Rot. Bonds5

About CID 155614515

CID 155614515 (PubChem CID 155614515) has the molecular formula C37H31N4OPt-3 and a molecular weight of 742.76 g/mol.

Molecular Properties

Compound NameCID 155614515
PubChem CID155614515
Molecular FormulaC37H31N4OPt-3
Molecular Weight742.76 g/mol
Exact Mass742.22
IUPAC Name—
SMILESCN1C=NN(c2[c-]c(Oc3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5ccccc5-c5ccccc54)n3)ccc2)[CH-]1.[Pt]
InChIInChI=1S/C37H31N4O.Pt/c1-36(2,3)27-21-34(39-35(22-27)42-29-16-12-15-28(23-29)41-25-40(4)24-38-41)37(26-13-6-5-7-14-26)32-19-10-8-17-30(32)31-18-9-11-20-33(31)37;/h5-13,15-22,24-25H,1-4H3;/q-3;
InChIKeyCMQAOQTWMZFTTL-UHFFFAOYSA-N
XLogP7.95
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.76
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxypyridine;platinum
CID 155614509
4-tert-butyl-2-[9-[2-(3-tert-butylbenzene-6-id-1-yl)-1-methylimidazol-4-yl]fluoren-9-yl]-6-(9-phenylfluoren-9-yl)pyridine;platinum(2+)
CID 155614478
2-[2,7-ditert-butyl-9-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 162461961
1-[3,5-bis(2-phenylpropan-2-yl)phenyl]-3-[3-tert-butyl-5-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-2H-benzimidazol-2-ide;platinum
CID 155651427
4-tert-butyl-2-[9-[3-(3-methylimidazol-3-ium-1-yl)phenyl]fluoren-9-yl]-6-phenoxypyridine
CID 155113839
1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
CID 168758255
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-6-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-7H-imidazo[1,2-a]pyridin-7-ide;platinum
CID 155633576
5-(3-tert-butylphenyl)-2-[9-[3-[3-[3-[3-(2,6-dimethylphenyl)phenyl]-4-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]-4-methylpyridine;platinum
CID 164704598
2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
CID 155652296
potassium 9,9-di(phenyl)fluorene
CID 164818801
2-[2,7-ditert-butyl-9-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum(2+)
CID 162461738
9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
CID 161215177

Frequently Asked Questions

What is the IUPAC name of CID 155614515?
The IUPAC name of CID 155614515 (CID 155614515) is not available.
What is the SMILES notation for CID 155614515?
The canonical SMILES for CID 155614515 is CN1C=NN(c2[c-]c(Oc3cc(C(C)(C)C)cc(C4(c5[c-]cccc5)c5ccccc5-c5ccccc54)n3)ccc2)[CH-]1.[Pt].
What is the InChIKey of CID 155614515?
The InChIKey is CMQAOQTWMZFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N4O.Pt/c1-36(2,3)27-21-34(39-35(22-27)42-29-16-12-15-28(23-29)41-25-40(4)24-38-41)37(26-13-6-5-7-14-26)32-19-10-8-17-30(32)31-18-9-11-20-33(31)37;/h5-13,15-22,24-25H,1-4H3;/q-3;.
What are the key properties of CID 155614515?
CID 155614515 has a molecular weight of 742.76 g/mol, XLogP of 7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155614515 is sourced from PubChem (CID 155614515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).