4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

C33H20N4O — CID 142336402

IUPAC4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c2)nc1
InChIInChI=1S/C33H20N4O/c1-2-11-28-25(9-1)31-29(12-6-17-35-31)37(28)23-13-14-30-26(20-23)32-33(38-30)24(15-18-36-32)21-7-5-8-22(19-21)27-10-3-4-16-34-27/h1-20H
InChIKeyOTODJGHKYZBMPK-UHFFFAOYSA-N
MW488.55 g/mol
LogP8.20
Rot. Bonds3

About 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine

4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336402) has the molecular formula C33H20N4O and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID142336402
Molecular FormulaC33H20N4O
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC Name4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c2)nc1
InChIInChI=1S/C33H20N4O/c1-2-11-28-25(9-1)31-29(12-6-17-35-31)37(28)23-13-14-30-26(20-23)32-33(38-30)24(15-18-36-32)21-7-5-8-22(19-21)27-10-3-4-16-34-27/h1-20H
InChIKeyOTODJGHKYZBMPK-UHFFFAOYSA-N
XLogP8.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[3-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336460
8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191513
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
4-([1]benzothiolo[2,3-c]pyridin-4-yl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191520
4-[3-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159713948
8-[24-(3-pyridin-2-ylphenyl)-15-thia-6,24-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-dodecaen-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 118391192
9-[3-[2-[4-(3-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]phenyl]carbazole;4-(3-dibenzofuran-4-ylphenyl)-2-[4-(3-dibenzofuran-4-ylphenyl)-2-pyridinyl]pyridine;4,7-diphenyl-1,10-phenanthroline
CID 158982958
6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 142336416
6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole
CID 71277929
4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159836909

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine (CID 142336402) is 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cccc(-c3ccnc4c3oc3ccc(-n5c6ccccc6c6ncccc65)cc34)c2)nc1.
What is the InChIKey of 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OTODJGHKYZBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O/c1-2-11-28-25(9-1)31-29(12-6-17-35-31)37(28)23-13-14-30-26(20-23)32-33(38-30)24(15-18-36-32)21-7-5-8-22(19-21)27-10-3-4-16-34-27/h1-20H.
What are the key properties of 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine?
4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 488.55 g/mol, XLogP of 8.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).