12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

C42H24N2O2 — CID 163679299

IUPAC12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccc(-c4c5oc6ccccc6c5nc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C42H24N2O2/c1-2-11-27(12-3-1)34-24-33(30-23-22-25-10-4-5-13-29(25)38(30)43-34)26-18-20-28(21-19-26)37-41-39(31-14-6-8-16-35(31)45-41)44-40-32-15-7-9-17-36(32)46-42(37)40/h1-24H
InChIKeyUZNPIPRAIRYZBM-UHFFFAOYSA-N
MW588.67 g/mol
LogP11.58
Rot. Bonds3

About 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 163679299) has the molecular formula C42H24N2O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
PubChem CID163679299
Molecular FormulaC42H24N2O2
Molecular Weight588.67 g/mol
Exact Mass588.18
IUPAC Name12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2cc(-c3ccc(-c4c5oc6ccccc6c5nc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C42H24N2O2/c1-2-11-27(12-3-1)34-24-33(30-23-22-25-10-4-5-13-29(25)38(30)43-34)26-18-20-28(21-19-26)37-41-39(31-14-6-8-16-35(31)45-41)44-40-32-15-7-9-17-36(32)46-42(37)40/h1-24H
InChIKeyUZNPIPRAIRYZBM-UHFFFAOYSA-N
XLogP11.58
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene with MolForge

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Related Compounds

12-(3-phenanthren-9-ylphenyl)-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163499013
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163864033
2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 90049933
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
13-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445662
7-methyl-2,4-diphenyl-[1]benzofuro[3,2-b]pyridine
CID 156696990
4-[3-(4-phenanthren-9-ylphenyl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 142491239
4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010497
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190122
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The IUPAC name of 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 163679299) is 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is c1ccc(-c2cc(-c3ccc(-c4c5oc6ccccc6c5nc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The InChIKey is UZNPIPRAIRYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2O2/c1-2-11-27(12-3-1)34-24-33(30-23-22-25-10-4-5-13-29(25)38(30)43-34)26-18-20-28(21-19-26)37-41-39(31-14-6-8-16-35(31)45-41)44-40-32-15-7-9-17-36(32)46-42(37)40/h1-24H.
What are the key properties of 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 588.67 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 163679299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).