benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)

C105H84O12P2+2 — CID 158282674

IUPACbenzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)
SMILESO=C(c1ccccc1)c1ccc(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1cccc(O)c1O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H18O2.2C24H20P.C13H10O4.C13H10O3.C6H6O3/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9;7-4-2-1-3-5(8)6(4)9/h1-16,26-27H;2*1-20H;1-7,14,16-17H;1-8,14-15H;1-3,7-9H/q;2*+1;;;
InChIKeyUBHWMXYGNAHNSU-UHFFFAOYSA-N
MW1599.76 g/mol
LogP19.24
Rot. Bonds14

About benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)

benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium) (PubChem CID 158282674) has the molecular formula C105H84O12P2+2 and a molecular weight of 1599.76 g/mol. Its IUPAC name is benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium).

Molecular Properties

Compound Namebenzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)
PubChem CID158282674
Molecular FormulaC105H84O12P2+2
Molecular Weight1599.76 g/mol
Exact Mass1598.54
IUPAC Namebenzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)
SMILESO=C(c1ccccc1)c1ccc(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1cccc(O)c1O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H18O2.2C24H20P.C13H10O4.C13H10O3.C6H6O3/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9;7-4-2-1-3-5(8)6(4)9/h1-16,26-27H;2*1-20H;1-7,14,16-17H;1-8,14-15H;1-3,7-9H/q;2*+1;;;
InChIKeyUBHWMXYGNAHNSU-UHFFFAOYSA-N
XLogP19.24
TPSA236.44 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001599.76
LogP ≤ 519.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
(2,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(4-hydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(4-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,3,4,5-tetrahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone;(2,3,4-trihydroxyphenyl)-(2,4,5-trihydroxyphenyl)methanone;(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 157438816
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 126487265
[3-(6,8-dihydroxynaphthalen-1-yl)-2,4-dihydroxyphenyl]-phenylmethanone
CID 167364837
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
[2-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]phenyl]-phenylmethanone
CID 141056080
(2,3-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2,6-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(3,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,5-tetrahydroxyphenyl)methanone;(2-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(3-hydroxyphenyl)-(2,3,4,6-tetrahydroxyphenyl)methanone;(2,3,4,5,6-pentahydroxyphenyl)-phenylmethanone;hydrate
CID 159081358
cyclohexa-3,5-diene-1,2-dione;(4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 158711705
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
(2,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 57131644
CID 59217319
CID 59217319

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)?
The IUPAC name of benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium) (CID 158282674) is benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium).
What is the SMILES notation for benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)?
The canonical SMILES for benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium) is O=C(c1ccccc1)c1ccc(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.Oc1cccc(O)c1O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)?
The InChIKey is UBHWMXYGNAHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2.2C24H20P.C13H10O4.C13H10O3.C6H6O3/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9;7-4-2-1-3-5(8)6(4)9/h1-16,26-27H;2*1-20H;1-7,14,16-17H;1-8,14-15H;1-3,7-9H/q;2*+1;;;.
What are the key properties of benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium)?
benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium) has a molecular weight of 1599.76 g/mol, XLogP of 19.24, 14 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3-triol;(2,4-dihydroxyphenyl)-phenylmethanone;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;phenyl-(2,3,4-trihydroxyphenyl)methanone;bis(tetraphenylphosphanium) is sourced from PubChem (CID 158282674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).