19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

C50H34N4O — CID 146319268

IUPAC19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc3nc(-c4ccncc4)c4ccc5c6ccccc6oc5c4c3n2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C50H34N4O/c1-50(2)39-29-34(31-11-5-3-6-12-31)17-22-42(39)54(43-23-18-35(30-40(43)50)32-13-7-4-8-14-32)45-24-21-41-48(53-45)46-38(47(52-41)33-25-27-51-28-26-33)20-19-37-36-15-9-10-16-44(36)55-49(37)46/h3-30H,1-2H3
InChIKeyIHZNDAKZBAIEPW-UHFFFAOYSA-N
MW706.85 g/mol
LogP13.19
Rot. Bonds4

About 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene

19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (PubChem CID 146319268) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.

Molecular Properties

Compound Name19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
PubChem CID146319268
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC Name19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc3nc(-c4ccncc4)c4ccc5c6ccccc6oc5c4c3n2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C50H34N4O/c1-50(2)39-29-34(31-11-5-3-6-12-31)17-22-42(39)54(43-23-18-35(30-40(43)50)32-13-7-4-8-14-32)45-24-21-41-48(53-45)46-38(47(52-41)33-25-27-51-28-26-33)20-19-37-36-15-9-10-16-44(36)55-49(37)46/h3-30H,1-2H3
InChIKeyIHZNDAKZBAIEPW-UHFFFAOYSA-N
XLogP13.19
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene with MolForge

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Related Compounds

18-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129119582
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
14-(4-dibenzofuran-4-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;14-(4-triphenylen-2-ylphenyl)-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 159851244
14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123553
14-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123550
2-[4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602556
4-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602706
9,9-dimethyl-7-[10-(14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 129119472
2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
CID 155473925
14-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124581
14-phenyl-18-[4-(13-phenyl-12-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-18-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129176422
14-[3-[4-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123598

Frequently Asked Questions

What is the IUPAC name of 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?
The IUPAC name of 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene (CID 146319268) is 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene.
What is the SMILES notation for 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?
The canonical SMILES for 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc3nc(-c4ccncc4)c4ccc5c6ccccc6oc5c4c3n2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?
The InChIKey is IHZNDAKZBAIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-50(2)39-29-34(31-11-5-3-6-12-31)17-22-42(39)54(43-23-18-35(30-40(43)50)32-13-7-4-8-14-32)45-24-21-41-48(53-45)46-38(47(52-41)33-25-27-51-28-26-33)20-19-37-36-15-9-10-16-44(36)55-49(37)46/h3-30H,1-2H3.
What are the key properties of 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene?
19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene has a molecular weight of 706.85 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-14-pyridin-4-yl-3-oxa-15,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene is sourced from PubChem (CID 146319268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).