15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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

C52H30N4O — CID 126679615

IUPAC15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6cccc7ccccc67)c45)nc4ccccc34)ccc2c1
InChIInChI=1S/C52H30N4O/c1-2-14-33-30-34(25-24-31(33)12-1)49-38-18-5-8-20-41(38)53-52(54-49)56-43-21-9-6-19-39(43)47-44(56)29-27-40-48-45(28-26-37-36-17-7-10-23-46(36)57-51(37)48)55(50(40)47)42-22-11-15-32-13-3-4-16-35(32)42/h1-30H
InChIKeyBWDYEAJNNSCANT-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.70
Rot. Bonds3

About 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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

15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 (PubChem CID 126679615) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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.

Molecular Properties

Compound Name15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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
PubChem CID126679615
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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
SMILESc1ccc2cc(-c3nc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6cccc7ccccc67)c45)nc4ccccc34)ccc2c1
InChIInChI=1S/C52H30N4O/c1-2-14-33-30-34(25-24-31(33)12-1)49-38-18-5-8-20-41(38)53-52(54-49)56-43-21-9-6-19-39(43)47-44(56)29-27-40-48-45(28-26-37-36-17-7-10-23-46(36)57-51(37)48)55(50(40)47)42-22-11-15-32-13-3-4-16-35(32)42/h1-30H
InChIKeyBWDYEAJNNSCANT-UHFFFAOYSA-N
XLogP13.70
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 with MolForge

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Related Compounds

15-naphthalen-1-yl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126677767
10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126679505
15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957425
18-naphthalen-2-yl-15-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679343
24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-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 126679609
18-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-18-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene;18-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 162109669
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
CID 159101464
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
18-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672666
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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?
The IUPAC name of 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 126679615) is 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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.
What is the SMILES notation for 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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?
The canonical SMILES for 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 is c1ccc2cc(-c3nc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6cccc7ccccc67)c45)nc4ccccc34)ccc2c1.
What is the InChIKey of 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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?
The InChIKey is BWDYEAJNNSCANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-14-33-30-34(25-24-31(33)12-1)49-38-18-5-8-20-41(38)53-52(54-49)56-43-21-9-6-19-39(43)47-44(56)29-27-40-48-45(28-26-37-36-17-7-10-23-46(36)57-51(37)48)55(50(40)47)42-22-11-15-32-13-3-4-16-35(32)42/h1-30H.
What are the key properties of 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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?
15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 has a molecular weight of 726.84 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-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 is sourced from PubChem (CID 126679615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).