2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum

C66H58NO3Pt- — CID 59027630

IUPAC2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum
SMILESC/C(O)=C/C(=O)Oc1cc(C2=CC3=C(CC2)c2ccccc2C3(C)C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)c1.[C-]1=C(c2ccccn2)CCC=C1.[Pt]
InChIInChI=1S/C55H48O3.C11H10N.Pt/c1-32(56)24-52(57)58-39-26-37(35-18-22-43-41-13-9-11-15-47(41)54(4,5)49(43)30-35)25-38(27-39)36-19-23-45-44-21-17-34(29-50(44)55(6,7)51(45)31-36)33-16-20-42-40-12-8-10-14-46(40)53(2,3)48(42)28-33;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h8-17,19-21,23-31,56H,18,22H2,1-7H3;1-2,4-5,8-9H,3,7H2;/q;-1;/b32-24-;;
InChIKeyLMISDUWITBOZJN-KLDAOQRTSA-N
MW1108.27 g/mol
LogP16.54
Rot. Bonds6

About 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum

2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum (PubChem CID 59027630) has the molecular formula C66H58NO3Pt- and a molecular weight of 1108.27 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum
PubChem CID59027630
Molecular FormulaC66H58NO3Pt-
Molecular Weight1108.27 g/mol
Exact Mass1107.41
IUPAC Name2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum
SMILESC/C(O)=C/C(=O)Oc1cc(C2=CC3=C(CC2)c2ccccc2C3(C)C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)c1.[C-]1=C(c2ccccn2)CCC=C1.[Pt]
InChIInChI=1S/C55H48O3.C11H10N.Pt/c1-32(56)24-52(57)58-39-26-37(35-18-22-43-41-13-9-11-15-47(41)54(4,5)49(43)30-35)25-38(27-39)36-19-23-45-44-21-17-34(29-50(44)55(6,7)51(45)31-36)33-16-20-42-40-12-8-10-14-46(40)53(2,3)48(42)28-33;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h8-17,19-21,23-31,56H,18,22H2,1-7H3;1-2,4-5,8-9H,3,7H2;/q;-1;/b32-24-;;
InChIKeyLMISDUWITBOZJN-KLDAOQRTSA-N
XLogP16.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.27
LogP ≤ 516.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one
CID 73354160
(8S,9S,13S,14S,17S)-13-methyl-17-(pyridin-3-yl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
CID 132273995
methyl (1'S,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
CID 58379745
(1'R,3R)-5-[[3-(1-ethenylcyclopentyl)-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58379765
(1'S,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]-4-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58379818
methyl (1'S,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
CID 58379830
(1'R,3R)-5-[[5-[(1R)-2,2-dimethylcyclopentyl]-2-fluoro-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58379885
methyl (1'R,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
CID 58379971
methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
CID 58380010
(1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylic acid
CID 58380042
(1'R,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylic acid
CID 58380064
(1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 58380108

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum?
The IUPAC name of 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum (CID 59027630) is 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum is C/C(O)=C/C(=O)Oc1cc(C2=CC3=C(CC2)c2ccccc2C3(C)C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc2-3)c1.[C-]1=C(c2ccccn2)CCC=C1.[Pt].
What is the InChIKey of 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum?
The InChIKey is LMISDUWITBOZJN-KLDAOQRTSA-N. The full InChI is InChI=1S/C55H48O3.C11H10N.Pt/c1-32(56)24-52(57)58-39-26-37(35-18-22-43-41-13-9-11-15-47(41)54(4,5)49(43)30-35)25-38(27-39)36-19-23-45-44-21-17-34(29-50(44)55(6,7)51(45)31-36)33-16-20-42-40-12-8-10-14-46(40)53(2,3)48(42)28-33;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h8-17,19-21,23-31,56H,18,22H2,1-7H3;1-2,4-5,8-9H,3,7H2;/q;-1;/b32-24-;;.
What are the key properties of 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum?
2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum has a molecular weight of 1108.27 g/mol, XLogP of 16.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum is sourced from PubChem (CID 59027630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).