CID 170935901

C75H80N4OPt — CID 170935901

IUPAC—
SMILESCc1cc2c([c-]c1Oc1[c-]c(C3=N[C@@H]4c5cc(C)c(C)c(C)c5-c5c(cc(C)c(C)c5C)[C@]4(C)N3c3c(C)c(C)cc(C)c3C)cc(-c3c(C(C)C)cccc3C(C)C)c1)-n1c3ncccc3c3cc(C(C)(C)C)cc(c31)C2(C)C.[Pt+2]
InChIInChI=1S/C75H80N4O.Pt/c1-38(2)55-24-22-25-56(39(3)4)67(55)51-32-52(34-54(33-51)80-64-37-63-60(31-44(64)9)74(19,20)62-36-53(73(16,17)18)35-58-57-26-23-27-76-72(57)78(63)69(58)62)71-77-70-59-29-42(7)45(10)49(14)65(59)66-50(15)46(11)43(8)30-61(66)75(70,21)79(71)68-47(12)40(5)28-41(6)48(68)13;/h22-33,35-36,38-39,70H,1-21H3;/q-2;+2/t70-,75+;/m1./s1
InChIKeyFIXODLZTMFIECT-KWDOSCQNSA-N
MW1248.57 g/mol
LogP19.72
Rot. Bonds7

About CID 170935901

CID 170935901 (PubChem CID 170935901) has the molecular formula C75H80N4OPt and a molecular weight of 1248.57 g/mol.

Molecular Properties

Compound NameCID 170935901
PubChem CID170935901
Molecular FormulaC75H80N4OPt
Molecular Weight1248.57 g/mol
Exact Mass1247.60
IUPAC Name—
SMILESCc1cc2c([c-]c1Oc1[c-]c(C3=N[C@@H]4c5cc(C)c(C)c(C)c5-c5c(cc(C)c(C)c5C)[C@]4(C)N3c3c(C)c(C)cc(C)c3C)cc(-c3c(C(C)C)cccc3C(C)C)c1)-n1c3ncccc3c3cc(C(C)(C)C)cc(c31)C2(C)C.[Pt+2]
InChIInChI=1S/C75H80N4O.Pt/c1-38(2)55-24-22-25-56(39(3)4)67(55)51-32-52(34-54(33-51)80-64-37-63-60(31-44(64)9)74(19,20)62-36-53(73(16,17)18)35-58-57-26-23-27-76-72(57)78(63)69(58)62)71-77-70-59-29-42(7)45(10)49(14)65(59)66-50(15)46(11)43(8)30-61(66)75(70,21)79(71)68-47(12)40(5)28-41(6)48(68)13;/h22-33,35-36,38-39,70H,1-21H3;/q-2;+2/t70-,75+;/m1./s1
InChIKeyFIXODLZTMFIECT-KWDOSCQNSA-N
XLogP19.72
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001248.57
LogP ≤ 519.72
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

CID 170934624
CID 170934624
CID 170934055
CID 170934055
CID 170932203
CID 170932203
CID 170935442
CID 170935442
CID 170935870
CID 170935870
CID 170932366
CID 170932366
CID 170935686
CID 170935686
CID 170935390
CID 170935390
17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 170935140
(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933176
CID 170935004
CID 170935004
(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934845

Frequently Asked Questions

What is the IUPAC name of CID 170935901?
The IUPAC name of CID 170935901 (CID 170935901) is not available.
What is the SMILES notation for CID 170935901?
The canonical SMILES for CID 170935901 is Cc1cc2c([c-]c1Oc1[c-]c(C3=N[C@@H]4c5cc(C)c(C)c(C)c5-c5c(cc(C)c(C)c5C)[C@]4(C)N3c3c(C)c(C)cc(C)c3C)cc(-c3c(C(C)C)cccc3C(C)C)c1)-n1c3ncccc3c3cc(C(C)(C)C)cc(c31)C2(C)C.[Pt+2].
What is the InChIKey of CID 170935901?
The InChIKey is FIXODLZTMFIECT-KWDOSCQNSA-N. The full InChI is InChI=1S/C75H80N4O.Pt/c1-38(2)55-24-22-25-56(39(3)4)67(55)51-32-52(34-54(33-51)80-64-37-63-60(31-44(64)9)74(19,20)62-36-53(73(16,17)18)35-58-57-26-23-27-76-72(57)78(63)69(58)62)71-77-70-59-29-42(7)45(10)49(14)65(59)66-50(15)46(11)43(8)30-61(66)75(70,21)79(71)68-47(12)40(5)28-41(6)48(68)13;/h22-33,35-36,38-39,70H,1-21H3;/q-2;+2/t70-,75+;/m1./s1.
What are the key properties of CID 170935901?
CID 170935901 has a molecular weight of 1248.57 g/mol, XLogP of 19.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170935901 is sourced from PubChem (CID 170935901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).