CID 164701917

C50H36N4Pt — CID 164701917

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6ccccn6)ccc5c5ccccc5c5ccccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C50H36N4.Pt/c1-50(2,3)34-27-29-52-49(31-34)54-46-22-11-9-19-41(46)43-26-24-35(32-48(43)54)53-45-21-10-8-18-40(45)38-16-6-4-14-36(38)37-15-5-7-17-39(37)42-25-23-33(30-47(42)53)44-20-12-13-28-51-44;/h4-29,31H,1-3H3;/q-2;+2
InChIKeyUNKXNNQGLXDMNM-UHFFFAOYSA-N
MW887.94 g/mol
LogP12.66
Rot. Bonds3

About CID 164701917

CID 164701917 (PubChem CID 164701917) has the molecular formula C50H36N4Pt and a molecular weight of 887.94 g/mol.

Molecular Properties

Compound NameCID 164701917
PubChem CID164701917
Molecular FormulaC50H36N4Pt
Molecular Weight887.94 g/mol
Exact Mass887.26
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6ccccn6)ccc5c5ccccc5c5ccccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C50H36N4.Pt/c1-50(2,3)34-27-29-52-49(31-34)54-46-22-11-9-19-41(46)43-26-24-35(32-48(43)54)53-45-21-10-8-18-40(45)38-16-6-4-14-36(38)37-15-5-7-17-39(37)42-25-23-33(30-47(42)53)44-20-12-13-28-51-44;/h4-29,31H,1-3H3;/q-2;+2
InChIKeyUNKXNNQGLXDMNM-UHFFFAOYSA-N
XLogP12.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.94
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
CID 164701916
CID 164701916
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)
CID 155636049
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
CID 164701894
CID 164701894
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421936
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
9-(4-tert-butyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)sulfonyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421014
9-[3-tert-butyl-5-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;9-[3-tert-butyl-5-[2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]pyrido[2,3-b]indole;9-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-2-(4-carbazol-9-yl-3-methyl-2H-imidazol-2-id-1-yl)-1H-carbazol-1-ide;platinum
CID 158586361
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
CID 164701874
CID 164701874

Frequently Asked Questions

What is the IUPAC name of CID 164701917?
The IUPAC name of CID 164701917 (CID 164701917) is not available.
What is the SMILES notation for CID 164701917?
The canonical SMILES for CID 164701917 is CC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6ccccn6)ccc5c5ccccc5c5ccccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of CID 164701917?
The InChIKey is UNKXNNQGLXDMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4.Pt/c1-50(2,3)34-27-29-52-49(31-34)54-46-22-11-9-19-41(46)43-26-24-35(32-48(43)54)53-45-21-10-8-18-40(45)38-16-6-4-14-36(38)37-15-5-7-17-39(37)42-25-23-33(30-47(42)53)44-20-12-13-28-51-44;/h4-29,31H,1-3H3;/q-2;+2.
What are the key properties of CID 164701917?
CID 164701917 has a molecular weight of 887.94 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164701917 is sourced from PubChem (CID 164701917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).