(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone

C99H62O6 — CID 161318732

IUPAC(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone
SMILESO=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3c(-c4ccccc4-c4ccccc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3ccc(-c4ccccc4)c4ccc1c2c34
InChIInChI=1S/2C35H22O2.C29H18O2/c36-32-13-7-6-12-31(32)35(37)30-21-17-24-15-19-28-27(18-14-23-16-20-29(30)34(24)33(23)28)26-11-5-4-10-25(26)22-8-2-1-3-9-22;36-32-9-5-4-8-31(32)35(37)30-21-17-26-15-19-28-27(18-14-25-16-20-29(30)34(26)33(25)28)24-12-10-23(11-13-24)22-6-2-1-3-7-22;30-26-9-5-4-8-25(26)29(31)24-15-13-20-11-10-19-12-14-21(18-6-2-1-3-7-18)22-16-17-23(24)28(20)27(19)22/h2*1-21,36H;1-17,30H
InChIKeyVJVUEWOPVRCWKX-UHFFFAOYSA-N
MW1347.58 g/mol
LogP24.90
Rot. Bonds11

About (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone

(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone (PubChem CID 161318732) has the molecular formula C99H62O6 and a molecular weight of 1347.58 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone
PubChem CID161318732
Molecular FormulaC99H62O6
Molecular Weight1347.58 g/mol
Exact Mass1346.45
IUPAC Name(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone
SMILESO=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3c(-c4ccccc4-c4ccccc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3ccc(-c4ccccc4)c4ccc1c2c34
InChIInChI=1S/2C35H22O2.C29H18O2/c36-32-13-7-6-12-31(32)35(37)30-21-17-24-15-19-28-27(18-14-23-16-20-29(30)34(24)33(23)28)26-11-5-4-10-25(26)22-8-2-1-3-9-22;36-32-9-5-4-8-31(32)35(37)30-21-17-26-15-19-28-27(18-14-25-16-20-29(30)34(26)33(25)28)24-12-10-23(11-13-24)22-6-2-1-3-7-22;30-26-9-5-4-8-25(26)29(31)24-15-13-20-11-10-19-12-14-21(18-6-2-1-3-7-18)22-16-17-23(24)28(20)27(19)22/h2*1-21,36H;1-17,30H
InChIKeyVJVUEWOPVRCWKX-UHFFFAOYSA-N
XLogP24.90
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.58
LogP ≤ 524.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone with MolForge

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Related Compounds

(2-hydroxyphenyl)-[6-(4-propoxyphenyl)pyren-1-yl]methanone
CID 138605781
(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone
CID 138605745
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-[2-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(3-pyren-1-ylphenyl)phenyl]pyrene;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 161348592
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-[2-(4-phenyl-3-pyren-1-ylphenyl)phenyl]pyrene
CID 169303152
phenyl-(4-pyren-1-ylphenyl)methanone
CID 102198939
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
(2-hydroxyphenyl)-pyren-1-ylmethanone;(2-methoxyphenyl)-pyren-1-ylmethanone;pyrene
CID 159155150
CID 143920789
CID 143920789
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone (CID 161318732) is (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone is O=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3c(-c4ccccc4-c4ccccc4)ccc4ccc1c2c43.O=C(c1ccccc1O)c1ccc2ccc3ccc(-c4ccccc4)c4ccc1c2c34.
What is the InChIKey of (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone?
The InChIKey is VJVUEWOPVRCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H22O2.C29H18O2/c36-32-13-7-6-12-31(32)35(37)30-21-17-24-15-19-28-27(18-14-23-16-20-29(30)34(24)33(23)28)26-11-5-4-10-25(26)22-8-2-1-3-9-22;36-32-9-5-4-8-31(32)35(37)30-21-17-26-15-19-28-27(18-14-25-16-20-29(30)34(26)33(25)28)24-12-10-23(11-13-24)22-6-2-1-3-7-22;30-26-9-5-4-8-25(26)29(31)24-15-13-20-11-10-19-12-14-21(18-6-2-1-3-7-18)22-16-17-23(24)28(20)27(19)22/h2*1-21,36H;1-17,30H.
What are the key properties of (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone?
(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone has a molecular weight of 1347.58 g/mol, XLogP of 24.90, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone is sourced from PubChem (CID 161318732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).