2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene

C36H20F2 — CID 167155329

IUPAC2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
SMILESFc1cc(F)cc(-c2c3ccccc3c(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)c1
InChIInChI=1S/C36H20F2/c37-27-18-26(19-28(38)20-27)36-31-10-3-1-8-29(31)35(30-9-2-4-11-32(30)36)25-16-23-14-12-21-6-5-7-22-13-15-24(17-25)34(23)33(21)22/h1-20H
InChIKeyBAOPCUZNGORIPI-UHFFFAOYSA-N
MW490.55 g/mol
LogP10.50
Rot. Bonds2

About 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene

2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene (PubChem CID 167155329) has the molecular formula C36H20F2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene.

Molecular Properties

Compound Name2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
PubChem CID167155329
Molecular FormulaC36H20F2
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
SMILESFc1cc(F)cc(-c2c3ccccc3c(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)c1
InChIInChI=1S/C36H20F2/c37-27-18-26(19-28(38)20-27)36-31-10-3-1-8-29(31)35(30-9-2-4-11-32(30)36)25-16-23-14-12-21-6-5-7-22-13-15-24(17-25)34(23)33(21)22/h1-20H
InChIKeyBAOPCUZNGORIPI-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
CID 151796817
4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155101
5,12-di(pyren-2-yl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 58479702
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
2-(4-pyren-2-ylphenyl)pyrene
CID 140856020
6-[10-(12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-6-yl)anthracen-9-yl]-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 59147750
4-[10-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)anthracen-9-yl]pyridine
CID 167411574

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene?
The IUPAC name of 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene (CID 167155329) is 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene.
What is the SMILES notation for 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene?
The canonical SMILES for 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene is Fc1cc(F)cc(-c2c3ccccc3c(-c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc23)c1.
What is the InChIKey of 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene?
The InChIKey is BAOPCUZNGORIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F2/c37-27-18-26(19-28(38)20-27)36-31-10-3-1-8-29(31)35(30-9-2-4-11-32(30)36)25-16-23-14-12-21-6-5-7-22-13-15-24(17-25)34(23)33(21)22/h1-20H.
What are the key properties of 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene?
2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene has a molecular weight of 490.55 g/mol, XLogP of 10.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene is sourced from PubChem (CID 167155329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).