3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline

C38H23N3O — CID 147334137

IUPAC3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccc5oc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C38H23N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)37-36-30(22-23-34-35(36)29-14-6-9-17-33(29)42-34)39-38(40-37)41-31-15-7-4-12-27(31)28-13-5-8-16-32(28)41/h1-23H
InChIKeyDCFLAYKIBIZAHG-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

About 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline

3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline (PubChem CID 147334137) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline.

Molecular Properties

Compound Name3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
PubChem CID147334137
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccc5oc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C38H23N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)37-36-30(22-23-34-35(36)29-14-6-9-17-33(29)42-34)39-38(40-37)41-31-15-7-4-12-27(31)28-13-5-8-16-32(28)41/h1-23H
InChIKeyDCFLAYKIBIZAHG-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778
19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164940056
12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679655
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
22-[4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidin-2-yl]-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621743
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
24-phenyl-15-(1-phenylbenzo[f]quinazolin-3-yl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126680167
15-phenyl-24-(4-phenylquinazolin-2-yl)-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126678269
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine
CID 118232441
15-(3-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679387
14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122179

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline?
The IUPAC name of 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline (CID 147334137) is 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline.
What is the SMILES notation for 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline?
The canonical SMILES for 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4ccc5oc6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline?
The InChIKey is DCFLAYKIBIZAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)37-36-30(22-23-34-35(36)29-14-6-9-17-33(29)42-34)39-38(40-37)41-31-15-7-4-12-27(31)28-13-5-8-16-32(28)41/h1-23H.
What are the key properties of 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline?
3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline has a molecular weight of 537.62 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline is sourced from PubChem (CID 147334137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).