CID 153429010

C50H34N4Pt — CID 153429010

IUPAC—
SMILESCC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(C2(c3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C50H34N4.Pt/c1-49(2,3)34-27-32(46-36-14-5-4-13-31(36)24-26-51-46)28-35(29-34)50(42-18-8-6-15-38(42)39-16-7-9-19-43(39)50)33-22-23-37-40-17-12-25-52-47(40)54-45-21-11-10-20-44(45)53-48(54)41(37)30-33;/h4-27,29H,1-3H3;/q-2;+2
InChIKeyVGXRWGMUXWRRSN-UHFFFAOYSA-N
MW885.93 g/mol
LogP11.66
Rot. Bonds3

About CID 153429010

CID 153429010 (PubChem CID 153429010) has the molecular formula C50H34N4Pt and a molecular weight of 885.93 g/mol.

Molecular Properties

Compound NameCID 153429010
PubChem CID153429010
Molecular FormulaC50H34N4Pt
Molecular Weight885.93 g/mol
Exact Mass885.24
IUPAC Name—
SMILESCC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(C2(c3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C50H34N4.Pt/c1-49(2,3)34-27-32(46-36-14-5-4-13-31(36)24-26-51-46)28-35(29-34)50(42-18-8-6-15-38(42)39-16-7-9-19-43(39)50)33-22-23-37-40-17-12-25-52-47(40)54-45-21-11-10-20-44(45)53-48(54)41(37)30-33;/h4-27,29H,1-3H3;/q-2;+2
InChIKeyVGXRWGMUXWRRSN-UHFFFAOYSA-N
XLogP11.66
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.93
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 153428904
CID 153428904
CID 160709775
CID 160709775
2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
CID 153429132
CID 158958109
CID 158958109
5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)
CID 153428747
3-[3-tert-butyl-5-[9-[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]fluoren-9-yl]benzene-6-id-1-yl]isoquinoline;platinum(2+)
CID 153428761
4-[(10-tert-butyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-yl)oxy]-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154611505
4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
CID 153428898
CID 159192079
CID 159192079
4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-5-pyridin-2-yl-6H-quinolin-6-ide;5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;8-(4-tert-butyl-2-pyridinyl)-6-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-7H-quinolin-7-ide;tetrakis(platinum(2+))
CID 158150706
1-[3-tert-butyl-5-[9-[3-(4-tert-butyl-2-pyridinyl)phenyl]fluoren-9-yl]phenyl]isoquinoline
CID 153428819
6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)
CID 153428872

Frequently Asked Questions

What is the IUPAC name of CID 153429010?
The IUPAC name of CID 153429010 (CID 153429010) is not available.
What is the SMILES notation for CID 153429010?
The canonical SMILES for CID 153429010 is CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(C2(c3[c-]c4c(cc3)c3cccnc3n3c5ccccc5nc43)c3ccccc3-c3ccccc32)c1.[Pt+2].
What is the InChIKey of CID 153429010?
The InChIKey is VGXRWGMUXWRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4.Pt/c1-49(2,3)34-27-32(46-36-14-5-4-13-31(36)24-26-51-46)28-35(29-34)50(42-18-8-6-15-38(42)39-16-7-9-19-43(39)50)33-22-23-37-40-17-12-25-52-47(40)54-45-21-11-10-20-44(45)53-48(54)41(37)30-33;/h4-27,29H,1-3H3;/q-2;+2.
What are the key properties of CID 153429010?
CID 153429010 has a molecular weight of 885.93 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153429010 is sourced from PubChem (CID 153429010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).