1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one

C44H32FNO — CID 146162588

IUPAC1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(c2ccc(F)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c2ccccc21
InChIInChI=1S/C44H32FNO/c1-44(2)33-25-15-16-26-35(33)46(43(44)47)36-28-27-34(45)41-39(31-21-11-5-12-22-31)37(29-17-7-3-8-18-29)38(30-19-9-4-10-20-30)40(42(36)41)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyOSHAEXFBAXLFES-UHFFFAOYSA-N
MW609.74 g/mol
LogP11.60
Rot. Bonds5

About 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one

1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one (PubChem CID 146162588) has the molecular formula C44H32FNO and a molecular weight of 609.74 g/mol. Its IUPAC name is 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one
PubChem CID146162588
Molecular FormulaC44H32FNO
Molecular Weight609.74 g/mol
Exact Mass609.25
IUPAC Name1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(c2ccc(F)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c2ccccc21
InChIInChI=1S/C44H32FNO/c1-44(2)33-25-15-16-26-35(33)46(43(44)47)36-28-27-34(45)41-39(31-21-11-5-12-22-31)37(29-17-7-3-8-18-29)38(30-19-9-4-10-20-30)40(42(36)41)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKeyOSHAEXFBAXLFES-UHFFFAOYSA-N
XLogP11.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.74
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Fluorobenzyl)benzo[cd]indol-2(1H)-one
CID 573349
1-(4-Biphenylyl)benz[cd]indol-2(1H)-one
CID 629397
2a-[4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 10971401
2a-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 11025847
17-(4-Fluorophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2829577
17-(3-Fluorophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3981745
1-methyl-2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11729084
2-benzyl-7-[3-[4-(dimethylamino)phenyl]phenyl]-3-naphthalen-2-yl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746382
1-(4-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)-1,3-dihydro-2H-indol-2-one
CID 42625188
1-(2-fluorobenzoyl)benzo[cd]indol-2(1H)-one
CID 2236553
1-(3-Fluorobenzyl)benzo[cd]indol-2-one
CID 4786936
1-(3-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)-1,3-dihydro-2H-indol-2-one
CID 42625186

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one (CID 146162588) is 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one is CC1(C)C(=O)N(c2ccc(F)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c2ccccc21.
What is the InChIKey of 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one?
The InChIKey is OSHAEXFBAXLFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32FNO/c1-44(2)33-25-15-16-26-35(33)46(43(44)47)36-28-27-34(45)41-39(31-21-11-5-12-22-31)37(29-17-7-3-8-18-29)38(30-19-9-4-10-20-30)40(42(36)41)32-23-13-6-14-24-32/h3-28H,1-2H3.
What are the key properties of 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one?
1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one has a molecular weight of 609.74 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 146162588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).