1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione

C40H24N4O5 — CID 122491684

IUPAC1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(-c2ccc3oc4cccc(-n5c(=O)n(-c6ccccc6)c(=O)c6ccccc65)c4c3c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C40H24N4O5/c45-37-28-16-7-9-18-31(28)41(39(47)42(37)25-12-3-1-4-13-25)27-22-23-34-30(24-27)36-33(20-11-21-35(36)49-34)44-32-19-10-8-17-29(32)38(46)43(40(44)48)26-14-5-2-6-15-26/h1-24H
InChIKeyRYIGRCKWDRSWJO-UHFFFAOYSA-N
MW640.66 g/mol
LogP6.50
Rot. Bonds4

About 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione

1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione (PubChem CID 122491684) has the molecular formula C40H24N4O5 and a molecular weight of 640.66 g/mol. Its IUPAC name is 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione
PubChem CID122491684
Molecular FormulaC40H24N4O5
Molecular Weight640.66 g/mol
Exact Mass640.17
IUPAC Name1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione
SMILESO=c1c2ccccc2n(-c2ccc3oc4cccc(-n5c(=O)n(-c6ccccc6)c(=O)c6ccccc65)c4c3c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C40H24N4O5/c45-37-28-16-7-9-18-31(28)41(39(47)42(37)25-12-3-1-4-13-25)27-22-23-34-30(24-27)36-33(20-11-21-35(36)49-34)44-32-19-10-8-17-29(32)38(46)43(40(44)48)26-14-5-2-6-15-26/h1-24H
InChIKeyRYIGRCKWDRSWJO-UHFFFAOYSA-N
XLogP6.50
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.66
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione with MolForge

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Related Compounds

3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-dibenzofuran-1-yl-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138729692
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 174349977
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
6-dibenzofuran-1-yl-7-phenylindolo[1,2-a]quinazolin-5-one
CID 163551294
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
9-dibenzofuran-1-yl-12-phenyl-9,12-diazaoctacyclo[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 134369922
2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione
CID 122491563
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[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 134369923
6-dibenzofuran-4-yl-3-[3-[4-[3-[7-(2,4-dioxo-1-phenylquinazolin-3-yl)-9,9-dimethylfluoren-2-yl]-2,4-dioxoquinazolin-1-yl]phenyl]phenyl]-1-phenylpyrimido[5,4-b]carbazole-2,4-dione
CID 156568594

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione?
The IUPAC name of 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione (CID 122491684) is 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione.
What is the SMILES notation for 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione?
The canonical SMILES for 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione is O=c1c2ccccc2n(-c2ccc3oc4cccc(-n5c(=O)n(-c6ccccc6)c(=O)c6ccccc65)c4c3c2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione?
The InChIKey is RYIGRCKWDRSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O5/c45-37-28-16-7-9-18-31(28)41(39(47)42(37)25-12-3-1-4-13-25)27-22-23-34-30(24-27)36-33(20-11-21-35(36)49-34)44-32-19-10-8-17-29(32)38(46)43(40(44)48)26-14-5-2-6-15-26/h1-24H.
What are the key properties of 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione?
1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione has a molecular weight of 640.66 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,4-dioxo-3-phenylquinazolin-1-yl)dibenzofuran-2-yl]-3-phenylquinazoline-2,4-dione is sourced from PubChem (CID 122491684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).