1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one

C44H27F4NO — CID 146162694

IUPAC1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(c2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c23)c2ccccc2C12CC2
InChIInChI=1S/C44H27F4NO/c45-30-16-8-26(9-17-30)38-34-4-3-7-37(49-36-6-2-1-5-35(36)44(24-25-44)43(49)50)42(34)41(29-14-22-33(48)23-15-29)40(28-12-20-32(47)21-13-28)39(38)27-10-18-31(46)19-11-27/h1-23H,24-25H2
InChIKeyUXDICKVCZODPGD-UHFFFAOYSA-N
MW661.70 g/mol
LogP11.77
Rot. Bonds5

About 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one

1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 146162694) has the molecular formula C44H27F4NO and a molecular weight of 661.70 g/mol. Its IUPAC name is 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID146162694
Molecular FormulaC44H27F4NO
Molecular Weight661.70 g/mol
Exact Mass661.20
IUPAC Name1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESO=C1N(c2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c23)c2ccccc2C12CC2
InChIInChI=1S/C44H27F4NO/c45-30-16-8-26(9-17-30)38-34-4-3-7-37(49-36-6-2-1-5-35(36)44(24-25-44)43(49)50)42(34)41(29-14-22-33(48)23-15-29)40(28-12-20-32(47)21-13-28)39(38)27-10-18-31(46)19-11-27/h1-23H,24-25H2
InChIKeyUXDICKVCZODPGD-UHFFFAOYSA-N
XLogP11.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.70
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
1-(4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 141064356
4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
CID 146405544
5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one
CID 178070297
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
CID 164582213
CID 164582213
16,16,18,18-tetrafluoro-3,10-bis(4-fluorophenyl)hexacyclo[13.6.2.02,11.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,10,12,14,19(23),20-decaene
CID 59838838
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735
6-(12,12-dimethyl-7-phenylbenzo[a]acridin-3-yl)-3-(4-fluorophenyl)furo[3,2-b]furan-2,5-dione
CID 118655381
2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde
CID 164735014

Frequently Asked Questions

What is the IUPAC name of 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 146162694) is 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one is O=C1N(c2cccc3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c23)c2ccccc2C12CC2.
What is the InChIKey of 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is UXDICKVCZODPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27F4NO/c45-30-16-8-26(9-17-30)38-34-4-3-7-37(49-36-6-2-1-5-35(36)44(24-25-44)43(49)50)42(34)41(29-14-22-33(48)23-15-29)40(28-12-20-32(47)21-13-28)39(38)27-10-18-31(46)19-11-27/h1-23H,24-25H2.
What are the key properties of 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one?
1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 661.70 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5,6,7,8-tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 146162694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).