2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile

C123H68N10O3 — CID 157308011

IUPAC2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C44H25N3O.C42H23N3O.C37H20N4O/c45-26-36-32-15-6-8-19-37(32)46-44(41(36)28-12-2-1-3-13-28)47-38-23-22-29(25-35(38)42-30-14-5-4-11-27(30)21-24-39(42)47)31-17-10-18-34-33-16-7-9-20-40(33)48-43(31)34;43-24-29-23-40(44-35-12-6-5-9-30(29)35)45-36-18-15-27(21-34(36)41-31-10-3-1-7-25(31)14-19-37(41)45)28-13-17-33-39(22-28)46-38-20-16-26-8-2-4-11-32(26)42(33)38;38-21-31-28-10-3-5-11-30(28)39-37(40-31)41-32-17-15-23(19-29(32)36-25-8-2-1-7-22(25)14-18-33(36)41)24-13-16-27-26-9-4-6-12-34(26)42-35(27)20-24/h1-25H;1-23H;1-20H
InChIKeyBCSHQGVSTWBABO-UHFFFAOYSA-N
MW1733.96 g/mol
LogP31.98
Rot. Bonds7

About 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile

2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile (PubChem CID 157308011) has the molecular formula C123H68N10O3 and a molecular weight of 1733.96 g/mol. Its IUPAC name is 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
PubChem CID157308011
Molecular FormulaC123H68N10O3
Molecular Weight1733.96 g/mol
Exact Mass1732.55
IUPAC Name2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12
InChIInChI=1S/C44H25N3O.C42H23N3O.C37H20N4O/c45-26-36-32-15-6-8-19-37(32)46-44(41(36)28-12-2-1-3-13-28)47-38-23-22-29(25-35(38)42-30-14-5-4-11-27(30)21-24-39(42)47)31-17-10-18-34-33-16-7-9-20-40(33)48-43(31)34;43-24-29-23-40(44-35-12-6-5-9-30(29)35)45-36-18-15-27(21-34(36)41-31-10-3-1-7-25(31)14-19-37(41)45)28-13-17-33-39(22-28)46-38-20-16-26-8-2-4-11-32(26)42(33)38;38-21-31-28-10-3-5-11-30(28)39-37(40-31)41-32-17-15-23(19-29(32)36-25-8-2-1-7-22(25)14-18-33(36)41)24-13-16-27-26-9-4-6-12-34(26)42-35(27)20-24/h1-25H;1-23H;1-20H
InChIKeyBCSHQGVSTWBABO-UHFFFAOYSA-N
XLogP31.98
TPSA177.14 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.96
LogP ≤ 531.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile (CID 157308011) is 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4cccc5c4oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1cc(-n2c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3c3c4ccccc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3c4ccccc4ccc32)nc2ccccc12.
What is the InChIKey of 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
The InChIKey is BCSHQGVSTWBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O.C42H23N3O.C37H20N4O/c45-26-36-32-15-6-8-19-37(32)46-44(41(36)28-12-2-1-3-13-28)47-38-23-22-29(25-35(38)42-30-14-5-4-11-27(30)21-24-39(42)47)31-17-10-18-34-33-16-7-9-20-40(33)48-43(31)34;43-24-29-23-40(44-35-12-6-5-9-30(29)35)45-36-18-15-27(21-34(36)41-31-10-3-1-7-25(31)14-19-37(41)45)28-13-17-33-39(22-28)46-38-20-16-26-8-2-4-11-32(26)42(33)38;38-21-31-28-10-3-5-11-30(28)39-37(40-31)41-32-17-15-23(19-29(32)36-25-8-2-1-7-22(25)14-18-33(36)41)24-13-16-27-26-9-4-6-12-34(26)42-35(27)20-24/h1-25H;1-23H;1-20H.
What are the key properties of 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile?
2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile has a molecular weight of 1733.96 g/mol, XLogP of 31.98, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)-3-phenylquinoline-4-carbonitrile;2-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 157308011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).