8-phenylindeno[1,2-b]pyridin-5-one

C72H44N4O4 — CID 139191772

IUPAC8-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21
InChIInChI=1S/4C18H11NO/c4*20-18-14-9-8-13(12-5-2-1-3-6-12)11-16(14)17-15(18)7-4-10-19-17/h4*1-11H
InChIKeyFELFMEZCIVJXCZ-UHFFFAOYSA-N
MW1029.17 g/mol
LogP15.84
Rot. Bonds4

About 8-phenylindeno[1,2-b]pyridin-5-one

8-phenylindeno[1,2-b]pyridin-5-one (PubChem CID 139191772) has the molecular formula C72H44N4O4 and a molecular weight of 1029.17 g/mol. Its IUPAC name is 8-phenylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name8-phenylindeno[1,2-b]pyridin-5-one
PubChem CID139191772
Molecular FormulaC72H44N4O4
Molecular Weight1029.17 g/mol
Exact Mass1028.34
IUPAC Name8-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21
InChIInChI=1S/4C18H11NO/c4*20-18-14-9-8-13(12-5-2-1-3-6-12)11-16(14)17-15(18)7-4-10-19-17/h4*1-11H
InChIKeyFELFMEZCIVJXCZ-UHFFFAOYSA-N
XLogP15.84
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.17
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

[4-[6-(2,4-Difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(4-methylphenyl)methanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(2,4,6-trimethylphenyl)methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;[4-(6-phenyl-3-pyridinyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone;platinum
CID 160368421
4-[4-(5-Oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
CID 102085468
(1S,4R,14S,17R,27S,30R)-9,22,35-tris(pyridin-2-ylmethyl)-9,22,35-triazatridecacyclo[28.9.1.14,14.117,27.02,29.03,15.05,13.07,11.016,28.018,26.020,24.031,39.033,37]dotetraconta-2,5,7(11),12,15,18,20(24),25,28,31,33(37),38-dodecaene-8,10,21,23,34,36-hexone
CID 102523529
CID 119098875
CID 119098875
14,28-Diphenyl-4,18-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene-12,26-dione
CID 139089144
(1RS,2RS,3SR,3aSR,8aSR)-1,3-di(2-pyridyl)-3a,8a-dihydrospiro{cyclopenta[a]indene-2,2(1H,3H)-indene}-1,8(3H)-dione
CID 139089916
Disilver;tetrakis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one);dinitrate;dihydrate
CID 139175974
7-Phenylindeno[1,2-b]pyridin-5-one
CID 139191774
12-Pyridin-3-yl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,14-dione
CID 2313657
7,16,25-Tripyridin-2-ylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-9,18,27-trione
CID 20603469
(6Z)-6-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]cyclopenta[b]pyridine-5,7-dione
CID 20617925
2-Aminoindan-5-yl-3-pyridyl ketone
CID 53666096

Frequently Asked Questions

What is the IUPAC name of 8-phenylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 8-phenylindeno[1,2-b]pyridin-5-one (CID 139191772) is 8-phenylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 8-phenylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 8-phenylindeno[1,2-b]pyridin-5-one is O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.O=C1c2ccc(-c3ccccc3)cc2-c2ncccc21.
What is the InChIKey of 8-phenylindeno[1,2-b]pyridin-5-one?
The InChIKey is FELFMEZCIVJXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H11NO/c4*20-18-14-9-8-13(12-5-2-1-3-6-12)11-16(14)17-15(18)7-4-10-19-17/h4*1-11H.
What are the key properties of 8-phenylindeno[1,2-b]pyridin-5-one?
8-phenylindeno[1,2-b]pyridin-5-one has a molecular weight of 1029.17 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 139191772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).