CID 170932891

C68H69N5Pt — CID 170932891

IUPAC—
SMILESCc1ccc2c(c1)c1cc3c([c-]c1n2-c1cc(C(C)(C)C)ccn1)N(c1[c-]c(C2=N[C@H](C(c4ccccc4)c4ccccc4)CN2c2c(C(C)C)cccc2C(C)C)cc(C(C)C)c1)c1ccccc1C3(C)C.[Pt+2]
InChIInChI=1S/C68H69N5.Pt/c1-42(2)48-35-49(66-70-58(64(46-22-15-13-16-23-46)47-24-17-14-18-25-47)41-71(66)65-52(43(3)4)26-21-27-53(65)44(5)6)37-51(36-48)72-60-29-20-19-28-56(60)68(11,12)57-39-55-54-34-45(7)30-31-59(54)73(61(55)40-62(57)72)63-38-50(32-33-69-63)67(8,9)10;/h13-36,38-39,42-44,58,64H,41H2,1-12H3;/q-2;+2/t58-;/m0./s1
InChIKeyXHZBNGZARWPWCD-FEJMEUATSA-N
MW1151.41 g/mol
LogP17.33
Rot. Bonds10

About CID 170932891

CID 170932891 (PubChem CID 170932891) has the molecular formula C68H69N5Pt and a molecular weight of 1151.41 g/mol.

Molecular Properties

Compound NameCID 170932891
PubChem CID170932891
Molecular FormulaC68H69N5Pt
Molecular Weight1151.41 g/mol
Exact Mass1150.52
IUPAC Name—
SMILESCc1ccc2c(c1)c1cc3c([c-]c1n2-c1cc(C(C)(C)C)ccn1)N(c1[c-]c(C2=N[C@H](C(c4ccccc4)c4ccccc4)CN2c2c(C(C)C)cccc2C(C)C)cc(C(C)C)c1)c1ccccc1C3(C)C.[Pt+2]
InChIInChI=1S/C68H69N5.Pt/c1-42(2)48-35-49(66-70-58(64(46-22-15-13-16-23-46)47-24-17-14-18-25-47)41-71(66)65-52(43(3)4)26-21-27-53(65)44(5)6)37-51(36-48)72-60-29-20-19-28-56(60)68(11,12)57-39-55-54-34-45(7)30-31-59(54)73(61(55)40-62(57)72)63-38-50(32-33-69-63)67(8,9)10;/h13-36,38-39,42-44,58,64H,41H2,1-12H3;/q-2;+2/t58-;/m0./s1
InChIKeyXHZBNGZARWPWCD-FEJMEUATSA-N
XLogP17.33
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.41
LogP ≤ 517.33
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

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CID 170935038
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CID 170935591
CID 170935756
CID 170935756
CID 170935368
CID 170935368
(4R)-4-benzhydryl-2-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-6,18,21,21-tetramethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-14-yl]phenyl]-4,5-dihydro-1,3-thiazole
CID 170934354
CID 170935013
CID 170935013
(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932874
CID 157126786
CID 157126786
CID 170932203
CID 170932203
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 167401151
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(propan-2-yl)-2-pyridinyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176783247

Frequently Asked Questions

What is the IUPAC name of CID 170932891?
The IUPAC name of CID 170932891 (CID 170932891) is not available.
What is the SMILES notation for CID 170932891?
The canonical SMILES for CID 170932891 is Cc1ccc2c(c1)c1cc3c([c-]c1n2-c1cc(C(C)(C)C)ccn1)N(c1[c-]c(C2=N[C@H](C(c4ccccc4)c4ccccc4)CN2c2c(C(C)C)cccc2C(C)C)cc(C(C)C)c1)c1ccccc1C3(C)C.[Pt+2].
What is the InChIKey of CID 170932891?
The InChIKey is XHZBNGZARWPWCD-FEJMEUATSA-N. The full InChI is InChI=1S/C68H69N5.Pt/c1-42(2)48-35-49(66-70-58(64(46-22-15-13-16-23-46)47-24-17-14-18-25-47)41-71(66)65-52(43(3)4)26-21-27-53(65)44(5)6)37-51(36-48)72-60-29-20-19-28-56(60)68(11,12)57-39-55-54-34-45(7)30-31-59(54)73(61(55)40-62(57)72)63-38-50(32-33-69-63)67(8,9)10;/h13-36,38-39,42-44,58,64H,41H2,1-12H3;/q-2;+2/t58-;/m0./s1.
What are the key properties of CID 170932891?
CID 170932891 has a molecular weight of 1151.41 g/mol, XLogP of 17.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170932891 is sourced from PubChem (CID 170932891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).