5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole

C41H29N3O — CID 118283315

IUPAC5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2)cc1
InChIInChI=1S/C41H29N3O/c1-25(2)26-16-18-27(19-17-26)29-20-21-33-36(24-29)44(35-23-22-31-30-12-7-9-15-37(30)45-40(31)38(33)35)41-42-34-14-8-6-13-32(34)39(43-41)28-10-4-3-5-11-28/h3-25H,1-2H3
InChIKeyVFEQHWHKXXGAKR-UHFFFAOYSA-N
MW579.70 g/mol
LogP11.08
Rot. Bonds4

About 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole

5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 118283315) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
PubChem CID118283315
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC Name5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2)cc1
InChIInChI=1S/C41H29N3O/c1-25(2)26-16-18-27(19-17-26)29-20-21-33-36(24-29)44(35-23-22-31-30-12-7-9-15-37(30)45-40(31)38(33)35)41-42-34-14-8-6-13-32(34)39(43-41)28-10-4-3-5-11-28/h3-25H,1-2H3
InChIKeyVFEQHWHKXXGAKR-UHFFFAOYSA-N
XLogP11.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
21-dibenzofuran-3-yl-9-(4-phenylquinazolin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335501
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
15-naphthalen-1-yl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126677767
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
21-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335550
10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126679505
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743
24-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-11-oxa-15,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678232
15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679615
14-[9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indol-6-yl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 145067338

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole (CID 118283315) is 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole is CC(C)c1ccc(-c2ccc3c4c5oc6ccccc6c5ccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2)cc1.
What is the InChIKey of 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VFEQHWHKXXGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c1-25(2)26-16-18-27(19-17-26)29-20-21-33-36(24-29)44(35-23-22-31-30-12-7-9-15-37(30)45-40(31)38(33)35)41-42-34-14-8-6-13-32(34)39(43-41)28-10-4-3-5-11-28/h3-25H,1-2H3.
What are the key properties of 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 579.70 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118283315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).