5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole

C40H23N3O — CID 139361573

IUPAC5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3ccc4oc5ccccc5c4c3c2)c2ccccc2n1
InChIInChI=1S/C40H23N3O/c1-2-10-26-23-35-32(21-25(26)9-1)28-11-4-7-15-34(28)43(35)40-41-33-14-6-3-12-29(33)39(42-40)27-18-17-24-19-20-37-38(31(24)22-27)30-13-5-8-16-36(30)44-37/h1-23H
InChIKeyCFMKZQIIKJAJJJ-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.60
Rot. Bonds2

About 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole

5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 139361573) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID139361573
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3ccc4oc5ccccc5c4c3c2)c2ccccc2n1
InChIInChI=1S/C40H23N3O/c1-2-10-26-23-35-32(21-25(26)9-1)28-11-4-7-15-34(28)43(35)40-41-33-14-6-3-12-29(33)39(42-40)27-18-17-24-19-20-37-38(31(24)22-27)30-13-5-8-16-36(30)44-37/h1-23H
InChIKeyCFMKZQIIKJAJJJ-UHFFFAOYSA-N
XLogP10.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
5-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 166511613
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
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 155335645

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole (CID 139361573) is 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3ccc4oc5ccccc5c4c3c2)c2ccccc2n1.
What is the InChIKey of 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is CFMKZQIIKJAJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-2-10-26-23-35-32(21-25(26)9-1)28-11-4-7-15-34(28)43(35)40-41-33-14-6-3-12-29(33)39(42-40)27-18-17-24-19-20-37-38(31(24)22-27)30-13-5-8-16-36(30)44-37/h1-23H.
What are the key properties of 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole?
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 561.64 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).