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

C46H27N3O — CID 118672666

IUPAC18-[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
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6c7c8ccccc8oc7c7ccccc7c65)nc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C46H27N3O/c1-2-12-28(13-3-1)29-22-23-31-27-32(25-24-30(31)26-29)43-35-16-6-9-19-38(35)47-46(48-43)49-39-20-10-7-17-36(39)41-42-37-18-8-11-21-40(37)50-45(42)34-15-5-4-14-33(34)44(41)49/h1-27H
InChIKeyJUYWVMFLIIPVCH-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 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

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 (PubChem CID 118672666) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name18-[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
PubChem CID118672666
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name18-[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
SMILESc1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6c7c8ccccc8oc7c7ccccc7c65)nc5ccccc45)ccc3c2)cc1
InChIInChI=1S/C46H27N3O/c1-2-12-28(13-3-1)29-22-23-31-27-32(25-24-30(31)26-29)43-35-16-6-9-19-38(35)47-46(48-43)49-39-20-10-7-17-36(39)41-42-37-18-8-11-21-40(37)50-45(42)34-15-5-4-14-33(34)44(41)49/h1-27H
InChIKeyJUYWVMFLIIPVCH-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

18-(4-dibenzofuran-2-ylquinazolin-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 118672656
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]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 146615811
18-[4-[3-[9-phenyl-6-[9-[4-[3-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]naphthalen-2-yl]carbazol-3-yl]carbazol-3-yl]phenyl]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 155257402
18-(4-phenylquinazolin-2-yl)-6-[3-[2-(9-thia-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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 147035740
20-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129292575
9-[4-(4-dibenzofuran-2-ylphenyl)quinazolin-2-yl]-18-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634606
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
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
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3cc(-c4nc(-n5c6ccccc6c6c7c8ccccc8oc7c7ccccc7c65)nc5ccccc45)ccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is JUYWVMFLIIPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-12-28(13-3-1)29-22-23-31-27-32(25-24-30(31)26-29)43-35-16-6-9-19-38(35)47-46(48-43)49-39-20-10-7-17-36(39)41-42-37-18-8-11-21-40(37)50-45(42)34-15-5-4-14-33(34)44(41)49/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118672666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).