5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene

C43H27N3O2 — CID 168787350

IUPAC5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
SMILESCC1(C)c2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)ccc2-n2c3oc4ccccc4c3c3cccc1c32
InChIInChI=1S/C43H27N3O2/c1-43(2)31-17-10-15-29-37-28-13-5-8-20-36(28)48-42(37)46(39(29)31)34-22-21-24(23-32(34)43)38-27-12-3-6-18-33(27)44-41(45-38)30-16-9-14-26-25-11-4-7-19-35(25)47-40(26)30/h3-23H,1-2H3
InChIKeyWUIPKFFHKBJMAT-UHFFFAOYSA-N
MW617.71 g/mol
LogP11.35
Rot. Bonds2

About 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene

5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene (PubChem CID 168787350) has the molecular formula C43H27N3O2 and a molecular weight of 617.71 g/mol. Its IUPAC name is 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene.

Molecular Properties

Compound Name5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
PubChem CID168787350
Molecular FormulaC43H27N3O2
Molecular Weight617.71 g/mol
Exact Mass617.21
IUPAC Name5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
SMILESCC1(C)c2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)ccc2-n2c3oc4ccccc4c3c3cccc1c32
InChIInChI=1S/C43H27N3O2/c1-43(2)31-17-10-15-29-37-28-13-5-8-20-36(28)48-42(37)46(39(29)31)34-22-21-24(23-32(34)43)38-27-12-3-6-18-33(27)44-41(45-38)30-16-9-14-26-25-11-4-7-19-35(25)47-40(26)30/h3-23H,1-2H3
InChIKeyWUIPKFFHKBJMAT-UHFFFAOYSA-N
XLogP11.35
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.71
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene with MolForge

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Related Compounds

5-[2-(3-carbazol-9-ylphenyl)quinazolin-4-yl]-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787420
5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787330
8,8-dimethyl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787331
8,8-dimethyl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]-15-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787466
16-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-9,9-dimethyl-14-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 130232961
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-8,8-dimethyl-21-thia-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene
CID 168787477
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-yl)-4-(9,9-dimethylfluoren-2-yl)quinazoline
CID 140907283
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062
4-dibenzofuran-1-yl-2-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-8-yl)quinazoline
CID 134217963
5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-8,8-dimethyl-15-thia-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787506

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene?
The IUPAC name of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene (CID 168787350) is 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene.
What is the SMILES notation for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene?
The canonical SMILES for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene is CC1(C)c2cc(-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)ccc2-n2c3oc4ccccc4c3c3cccc1c32.
What is the InChIKey of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene?
The InChIKey is WUIPKFFHKBJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O2/c1-43(2)31-17-10-15-29-37-28-13-5-8-20-36(28)48-42(37)46(39(29)31)34-22-21-24(23-32(34)43)38-27-12-3-6-18-33(27)44-41(45-38)30-16-9-14-26-25-11-4-7-19-35(25)47-40(26)30/h3-23H,1-2H3.
What are the key properties of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene?
5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene has a molecular weight of 617.71 g/mol, XLogP of 11.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-8,8-dimethyl-21-oxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2(7),3,5,9,11,13(23),14(22),15,17,19-decaene is sourced from PubChem (CID 168787350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).