12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

C32H19N3O — CID 126580317

IUPAC12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C32H19N3O/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19H
InChIKeyLXEXISALCWTXTP-UHFFFAOYSA-N
MW461.52 g/mol
LogP8.29
Rot. Bonds2

About 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 126580317) has the molecular formula C32H19N3O and a molecular weight of 461.52 g/mol. Its IUPAC name is 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID126580317
Molecular FormulaC32H19N3O
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC Name12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C32H19N3O/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19H
InChIKeyLXEXISALCWTXTP-UHFFFAOYSA-N
XLogP8.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

15-phenyl-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 126679145
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
12-(13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
CID 170371290
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252440
26-(4-phenylquinazolin-2-yl)-4,15-dithia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;26-(4-phenylquinazolin-2-yl)-4-oxa-15-thia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 165057098
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
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)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 126580317) is 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is LXEXISALCWTXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3O/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19H.
What are the key properties of 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 461.52 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 126580317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).