[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol

C52H36O2 — CID 11039752

IUPAC[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccc4ccc5ccc6ccc(C(O)(c7ccccc7)c7ccccc7)cc6c5c4c3c2c1
InChIInChI=1S/C52H36O2/c53-51(40-13-5-1-6-14-40,41-15-7-2-8-16-41)44-31-29-35-21-23-37-25-27-39-28-26-38-24-22-36-30-32-45(34-47(36)49(38)50(39)48(37)46(35)33-44)52(54,42-17-9-3-10-18-42)43-19-11-4-12-20-43/h1-34,53-54H
InChIKeyWRKUZWANGXFDSE-UHFFFAOYSA-N
MW692.86 g/mol
LogP12.02
Rot. Bonds6

About [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol

[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol (PubChem CID 11039752) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol
PubChem CID11039752
Molecular FormulaC52H36O2
Molecular Weight692.86 g/mol
Exact Mass692.27
IUPAC Name[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccc4ccc5ccc6ccc(C(O)(c7ccccc7)c7ccccc7)cc6c5c4c3c2c1
InChIInChI=1S/C52H36O2/c53-51(40-13-5-1-6-14-40,41-15-7-2-8-16-41)44-31-29-35-21-23-37-25-27-39-28-26-38-24-22-36-30-32-45(34-47(36)49(38)50(39)48(37)46(35)33-44)52(54,42-17-9-3-10-18-42)43-19-11-4-12-20-43/h1-34,53-54H
InChIKeyWRKUZWANGXFDSE-UHFFFAOYSA-N
XLogP12.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 512.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

trinaphthalen-2-ylmethanol
CID 10573628
sodium;hydride;triphenylmethanol
CID 174537383
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2-(trifluoromethyl)benzo[c]phenanthrene
CID 44623566
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
[4-(2-iodoethyl)phenyl]-diphenylmethanol
CID 163674659
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
6-(hydroxy-phenyl-pyridin-3-ylmethyl)naphthalen-2-ol
CID 67931636
ethoxyethane;triphenylmethanol
CID 70428584

Frequently Asked Questions

What is the IUPAC name of [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol?
The IUPAC name of [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol (CID 11039752) is [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol.
What is the SMILES notation for [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol?
The canonical SMILES for [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccc4ccc5ccc6ccc(C(O)(c7ccccc7)c7ccccc7)cc6c5c4c3c2c1.
What is the InChIKey of [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol?
The InChIKey is WRKUZWANGXFDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2/c53-51(40-13-5-1-6-14-40,41-15-7-2-8-16-41)44-31-29-35-21-23-37-25-27-39-28-26-38-24-22-36-30-32-45(34-47(36)49(38)50(39)48(37)46(35)33-44)52(54,42-17-9-3-10-18-42)43-19-11-4-12-20-43/h1-34,53-54H.
What are the key properties of [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol?
[15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol has a molecular weight of 692.86 g/mol, XLogP of 12.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [15-[hydroxy(diphenyl)methyl]hexahelicen-2-yl]-diphenylmethanol is sourced from PubChem (CID 11039752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).