9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene

C53H32F4 — CID 168784180

IUPAC9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene
SMILESFc1cccc(F)c1C1=C2C=CC=CC2C(c2ccc3c(c2)Cc2cccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)c2-3)c2ccccc21
InChIInChI=1S/C53H32F4/c54-43-22-10-23-44(55)52(43)50-38-17-5-1-13-34(38)48(35-14-2-6-18-39(35)50)31-26-27-33-32(29-31)28-30-12-9-21-42(47(30)33)49-36-15-3-7-19-40(36)51(41-20-8-4-16-37(41)49)53-45(56)24-11-25-46(53)57/h1-27,29,34,48H,28H2
InChIKeyKBRVJZLOHXQCAY-UHFFFAOYSA-N
MW744.83 g/mol
LogP14.14
Rot. Bonds4

About 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene

9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene (PubChem CID 168784180) has the molecular formula C53H32F4 and a molecular weight of 744.83 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene.

Molecular Properties

Compound Name9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene
PubChem CID168784180
Molecular FormulaC53H32F4
Molecular Weight744.83 g/mol
Exact Mass744.24
IUPAC Name9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene
SMILESFc1cccc(F)c1C1=C2C=CC=CC2C(c2ccc3c(c2)Cc2cccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)c2-3)c2ccccc21
InChIInChI=1S/C53H32F4/c54-43-22-10-23-44(55)52(43)50-38-17-5-1-13-34(38)48(35-14-2-6-18-39(35)50)31-26-27-33-32(29-31)28-30-12-9-21-42(47(30)33)49-36-15-3-7-19-40(36)51(41-20-8-4-16-37(41)49)53-45(56)24-11-25-46(53)57/h1-27,29,34,48H,28H2
InChIKeyKBRVJZLOHXQCAY-UHFFFAOYSA-N
XLogP14.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.83
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-methyl-3-[10-(3-methylphenyl)-8a,9-dihydroanthracen-9-yl]aniline
CID 129282050
2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174292735
9-phenyl-1-[5-[10-(4-phenylphenyl)-4a,10-dihydroanthracen-9-yl]-2-pyridinyl]carbazole
CID 134531032
10-iodo-9-phenyl-4a,10-dihydroanthracene
CID 129174339
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
4-(2,3,4-trifluorophenyl)-9H-fluorene
CID 174548890
12-[4-(6-methyl-10-phenyl-4a,10-dihydroanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163454620
9-hepta-2,4-dien-3-yl-10-(4-methylphenyl)-4a,10-dihydroanthracene
CID 123560697
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
CID 88943692
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
9-naphthalen-1-yl-10-(3-tricyclo[7.4.1.02,7]tetradeca-2(7),3,5,9(14),10,12-hexaenyl)anthracene
CID 145232758
15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
CID 145280857

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene?
The IUPAC name of 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene (CID 168784180) is 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene.
What is the SMILES notation for 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene?
The canonical SMILES for 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene is Fc1cccc(F)c1C1=C2C=CC=CC2C(c2ccc3c(c2)Cc2cccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)c2-3)c2ccccc21.
What is the InChIKey of 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene?
The InChIKey is KBRVJZLOHXQCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F4/c54-43-22-10-23-44(55)52(43)50-38-17-5-1-13-34(38)48(35-14-2-6-18-39(35)50)31-26-27-33-32(29-31)28-30-12-9-21-42(47(30)33)49-36-15-3-7-19-40(36)51(41-20-8-4-16-37(41)49)53-45(56)24-11-25-46(53)57/h1-27,29,34,48H,28H2.
What are the key properties of 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene?
9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene has a molecular weight of 744.83 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene is sourced from PubChem (CID 168784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).