13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

C52H29N3O — CID 162472825

IUPAC13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc(-c3ccc4c(c3)oc3ccccc34)c12
InChIInChI=1S/C52H29N3O/c1-3-13-33-30(11-1)23-27-43-48(33)50(32-22-24-39-38-18-9-10-20-45(38)56-46(39)29-32)54-52(53-43)55-44-28-26-41-37-17-6-5-15-35(37)36-16-7-8-19-40(36)47(41)49(44)42-25-21-31-12-2-4-14-34(31)51(42)55/h1-29H
InChIKeyGKOIRUOAPGHZTO-UHFFFAOYSA-N
MW711.82 g/mol
LogP14.06
Rot. Bonds2

About 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 162472825) has the molecular formula C52H29N3O and a molecular weight of 711.82 g/mol. Its IUPAC name is 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
PubChem CID162472825
Molecular FormulaC52H29N3O
Molecular Weight711.82 g/mol
Exact Mass711.23
IUPAC Name13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc(-c3ccc4c(c3)oc3ccccc34)c12
InChIInChI=1S/C52H29N3O/c1-3-13-33-30(11-1)23-27-43-48(33)50(32-22-24-39-38-18-9-10-20-45(38)56-46(39)29-32)54-52(53-43)55-44-28-26-41-37-17-6-5-15-35(37)36-16-7-8-19-40(36)47(41)49(44)42-25-21-31-12-2-4-14-34(31)51(42)55/h1-29H
InChIKeyGKOIRUOAPGHZTO-UHFFFAOYSA-N
XLogP14.06
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

13-(3-dibenzofuran-3-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472792
13-[1-(9-phenylcarbazol-3-yl)benzo[f]quinazolin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472926
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-dibenzofuran-3-yl-[1]benzothiolo[2,3-d]pyrimidine
CID 163897656
13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472964
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;13-[1-(4-phenylphenyl)benzo[f]quinazolin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;13-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 163790896
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-3-yl-[1]benzofuro[2,3-b]pyrazine
CID 162473026
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzothiophen-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 158037699
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
15-(1-phenylbenzo[f]quinazolin-3-yl)-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678360

Frequently Asked Questions

What is the IUPAC name of 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 162472825) is 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)nc(-c3ccc4c(c3)oc3ccccc34)c12.
What is the InChIKey of 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is GKOIRUOAPGHZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O/c1-3-13-33-30(11-1)23-27-43-48(33)50(32-22-24-39-38-18-9-10-20-45(38)56-46(39)29-32)54-52(53-43)55-44-28-26-41-37-17-6-5-15-35(37)36-16-7-8-19-40(36)47(41)49(44)42-25-21-31-12-2-4-14-34(31)51(42)55/h1-29H.
What are the key properties of 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 711.82 g/mol, XLogP of 14.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 162472825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).