23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene

C48H27N3O — CID 164840647

IUPAC23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2nc(-c3ccc4oc5ccccc5c4c3)c3ccccc3n2)cc1
InChIInChI=1S/C48H27N3O/c1-2-11-28(12-3-1)30-24-25-36-35-18-10-21-41-46(35)45-34(33-16-8-15-32(30)44(33)36)17-9-20-40(45)51(41)48-49-39-19-6-4-14-37(39)47(50-48)29-23-26-43-38(27-29)31-13-5-7-22-42(31)52-43/h1-27H
InChIKeyLJFVYDXPYRSTMJ-UHFFFAOYSA-N
MW661.76 g/mol
LogP12.76
Rot. Bonds3

About 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene

23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene (PubChem CID 164840647) has the molecular formula C48H27N3O and a molecular weight of 661.76 g/mol. Its IUPAC name is 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene.

Molecular Properties

Compound Name23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene
PubChem CID164840647
Molecular FormulaC48H27N3O
Molecular Weight661.76 g/mol
Exact Mass661.22
IUPAC Name23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2nc(-c3ccc4oc5ccccc5c4c3)c3ccccc3n2)cc1
InChIInChI=1S/C48H27N3O/c1-2-11-28(12-3-1)30-24-25-36-35-18-10-21-41-46(35)45-34(33-16-8-15-32(30)44(33)36)17-9-20-40(45)51(41)48-49-39-19-6-4-14-37(39)47(50-48)29-23-26-43-38(27-29)31-13-5-7-22-42(31)52-43/h1-27H
InChIKeyLJFVYDXPYRSTMJ-UHFFFAOYSA-N
XLogP12.76
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.76
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene with MolForge

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Related Compounds

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
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
CID 135280177
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285248
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
CID 134353213

Frequently Asked Questions

What is the IUPAC name of 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene?
The IUPAC name of 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene (CID 164840647) is 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene.
What is the SMILES notation for 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene?
The canonical SMILES for 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene is c1ccc(-c2ccc3c4c(cccc24)-c2cccc4c2c2c-3cccc2n4-c2nc(-c3ccc4oc5ccccc5c4c3)c3ccccc3n2)cc1.
What is the InChIKey of 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene?
The InChIKey is LJFVYDXPYRSTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3O/c1-2-11-28(12-3-1)30-24-25-36-35-18-10-21-41-46(35)45-34(33-16-8-15-32(30)44(33)36)17-9-20-40(45)51(41)48-49-39-19-6-4-14-37(39)47(50-48)29-23-26-43-38(27-29)31-13-5-7-22-42(31)52-43/h1-27H.
What are the key properties of 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene?
23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene has a molecular weight of 661.76 g/mol, XLogP of 12.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene is sourced from PubChem (CID 164840647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).