8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene

C41H23N3O — CID 155771599

IUPAC8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6c7c(cccc7c5c4c3)-c3ccncc3-c3ccccc3-6)nc3ccccc23)cc1
InChIInChI=1S/C41H23N3O/c1-2-9-24(10-3-1)40-30-13-6-7-16-35(30)43-41(44-40)25-17-18-36-33(21-25)39-31-15-8-14-29-28-19-20-42-23-34(28)27-12-5-4-11-26(27)32(38(29)31)22-37(39)45-36/h1-23H
InChIKeyJRKQUHFVANIXAV-UHFFFAOYSA-N
MW573.66 g/mol
LogP10.73
Rot. Bonds2

About 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene

8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene (PubChem CID 155771599) has the molecular formula C41H23N3O and a molecular weight of 573.66 g/mol. Its IUPAC name is 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene.

Molecular Properties

Compound Name8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
PubChem CID155771599
Molecular FormulaC41H23N3O
Molecular Weight573.66 g/mol
Exact Mass573.18
IUPAC Name8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2nc(-c3ccc4oc5cc6c7c(cccc7c5c4c3)-c3ccncc3-c3ccccc3-6)nc3ccccc23)cc1
InChIInChI=1S/C41H23N3O/c1-2-9-24(10-3-1)40-30-13-6-7-16-35(30)43-41(44-40)25-17-18-36-33(21-25)39-31-15-8-14-29-28-19-20-42-23-34(28)27-12-5-4-11-26(27)32(38(29)31)22-37(39)45-36/h1-23H
InChIKeyJRKQUHFVANIXAV-UHFFFAOYSA-N
XLogP10.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.66
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene with MolForge

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Related Compounds

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-4-phenylquinazoline
CID 138670998
2-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-4-phenylquinazoline
CID 134299709
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
[4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)phenyl]-bis(4-phenylphenyl)phosphane
CID 144896297
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
CID 164936942
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301039
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenylquinazoline
CID 156575030
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene
CID 156559914
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The IUPAC name of 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene (CID 155771599) is 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene.
What is the SMILES notation for 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The canonical SMILES for 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene is c1ccc(-c2nc(-c3ccc4oc5cc6c7c(cccc7c5c4c3)-c3ccncc3-c3ccccc3-6)nc3ccccc23)cc1.
What is the InChIKey of 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
The InChIKey is JRKQUHFVANIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3O/c1-2-9-24(10-3-1)40-30-13-6-7-16-35(30)43-41(44-40)25-17-18-36-33(21-25)39-31-15-8-14-29-28-19-20-42-23-34(28)27-12-5-4-11-26(27)32(38(29)31)22-37(39)45-36/h1-23H.
What are the key properties of 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene?
8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene has a molecular weight of 573.66 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylquinazolin-2-yl)-4-oxa-20-azaheptacyclo[14.12.1.03,11.05,10.012,29.017,22.023,28]nonacosa-1,3(11),5(10),6,8,12(29),13,15,17(22),18,20,23,25,27-tetradecaene is sourced from PubChem (CID 155771599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).