10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one

C31H20N2O — CID 161296094

IUPAC10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ncccc12
InChIInChI=1S/C31H20N2O/c34-29-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)29)26-17-8-9-19-28(26)33(21-11-2-1-3-12-21)30-27(31)18-10-20-32-30/h1-20H
InChIKeyFIMXPPFNHPMUEF-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.79
Rot. Bonds1

About 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one

10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one (PubChem CID 161296094) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one.

Molecular Properties

Compound Name10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
PubChem CID161296094
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ncccc12
InChIInChI=1S/C31H20N2O/c34-29-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)29)26-17-8-9-19-28(26)33(21-11-2-1-3-12-21)30-27(31)18-10-20-32-30/h1-20H
InChIKeyFIMXPPFNHPMUEF-UHFFFAOYSA-N
XLogP6.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5'-phenylspiro[benzo[g]quinoline-10,10'-pyrido[3,2-b][1,5]naphthyridine]-5-one
CID 159980149
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
CID 139575024
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
CID 138579740
CID 138579740
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809024
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
21-phenylspiro[14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249547
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033

Frequently Asked Questions

What is the IUPAC name of 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one?
The IUPAC name of 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one (CID 161296094) is 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one.
What is the SMILES notation for 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one?
The canonical SMILES for 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ncccc12.
What is the InChIKey of 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one?
The InChIKey is FIMXPPFNHPMUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O/c34-29-22-13-4-6-15-24(22)31(25-16-7-5-14-23(25)29)26-17-8-9-19-28(26)33(21-11-2-1-3-12-21)30-27(31)18-10-20-32-30/h1-20H.
What are the key properties of 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one?
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one has a molecular weight of 436.51 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one is sourced from PubChem (CID 161296094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).