5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole

C46H27N3O — CID 164707669

IUPAC5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5n4)cccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-28(14-3-1)37-26-31-17-6-7-18-32(31)42-35-21-12-22-36(43(35)50-44(37)42)45-47-39-23-10-8-20-34(39)46(48-45)49-40-24-11-9-19-33(40)38-25-29-15-4-5-16-30(29)27-41(38)49/h1-27H
InChIKeyYPUPSTBUTIMRFO-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole

5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 164707669) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID164707669
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5n4)cccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-28(14-3-1)37-26-31-17-6-7-18-32(31)42-35-21-12-22-36(43(35)50-44(37)42)45-47-39-23-10-8-20-34(39)46(48-45)49-40-24-11-9-19-33(40)38-25-29-15-4-5-16-30(29)27-41(38)49/h1-27H
InChIKeyYPUPSTBUTIMRFO-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361333
10-benzo[b]carbazol-5-yl-5-[2-(2-ethyl-3-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole
CID 146374711
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 154968541
16-[5-[4-(12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaen-27-yl)quinazolin-2-yl]naphthalen-2-yl]-27-[2-(3-phenylphenyl)quinazolin-4-yl]-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13(18),14,16,19(30),20(28),21,23,25-tetradecaene
CID 138752377
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole (CID 164707669) is 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole is c1ccc(-c2cc3ccccc3c3c2oc2c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5n4)cccc23)cc1.
What is the InChIKey of 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is YPUPSTBUTIMRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-13-28(14-3-1)37-26-31-17-6-7-18-32(31)42-35-21-12-22-36(43(35)50-44(37)42)45-47-39-23-10-8-20-34(39)46(48-45)49-40-24-11-9-19-33(40)38-25-29-15-4-5-16-30(29)27-41(38)49/h1-27H.
What are the key properties of 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole?
5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 164707669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).