3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile

C137H75N9O4S — CID 157380302

IUPAC3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2-n2c3ccccc3c3ccccc32)c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4sc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C49H29N3O.C44H23N3O2.C44H23N3OS/c50-30-31-26-33(32-12-2-1-3-13-32)28-34(27-31)36-23-22-35(29-46(36)52-42-18-8-4-14-37(42)38-15-5-9-19-43(38)52)51-44-20-10-6-17-41(44)48-45(51)25-24-40-39-16-7-11-21-47(39)53-49(40)48;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)48-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)49-44(34)43;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)49-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)48-44(34)43/h1-29H;2*1-23H
InChIKeyBKUMCZXGKFYIIJ-UHFFFAOYSA-N
MW1943.23 g/mol
LogP36.77
Rot. Bonds10

About 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile

3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile (PubChem CID 157380302) has the molecular formula C137H75N9O4S and a molecular weight of 1943.23 g/mol. Its IUPAC name is 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
PubChem CID157380302
Molecular FormulaC137H75N9O4S
Molecular Weight1943.23 g/mol
Exact Mass1941.57
IUPAC Name3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2-n2c3ccccc3c3ccccc32)c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4sc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1
InChIInChI=1S/C49H29N3O.C44H23N3O2.C44H23N3OS/c50-30-31-26-33(32-12-2-1-3-13-32)28-34(27-31)36-23-22-35(29-46(36)52-42-18-8-4-14-37(42)38-15-5-9-19-43(38)52)51-44-20-10-6-17-41(44)48-45(51)25-24-40-39-16-7-11-21-47(39)53-49(40)48;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)48-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)49-44(34)43;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)49-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)48-44(34)43/h1-29H;2*1-23H
InChIKeyBKUMCZXGKFYIIJ-UHFFFAOYSA-N
XLogP36.77
TPSA191.23 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.23
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile with MolForge

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Related Compounds

5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
6-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile;3-[3-dibenzofuran-3-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;4-[3-dibenzofuran-3-yl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]benzonitrile
CID 159607761
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
CID 158737110
4-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-dibenzothiophen-3-ylphenyl]phenyl]benzonitrile
CID 139339907
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
CID 139340001
2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile;3-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-cyanophenyl)benzonitrile
CID 161146073
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921

Frequently Asked Questions

What is the IUPAC name of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile?
The IUPAC name of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile (CID 157380302) is 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile.
What is the SMILES notation for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile?
The canonical SMILES for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile is N#Cc1cc(-c2ccccc2)cc(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2-n2c3ccccc3c3ccccc32)c1.N#Cc1cccc(-c2cc(-c3ccc4oc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3ccc4sc5ccc(C#N)cc5c4c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c1.
What is the InChIKey of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile?
The InChIKey is BKUMCZXGKFYIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O.C44H23N3O2.C44H23N3OS/c50-30-31-26-33(32-12-2-1-3-13-32)28-34(27-31)36-23-22-35(29-46(36)52-42-18-8-4-14-37(42)38-15-5-9-19-43(38)52)51-44-20-10-6-17-41(44)48-45(51)25-24-40-39-16-7-11-21-47(39)53-49(40)48;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)48-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)49-44(34)43;45-24-26-6-5-7-28(18-26)30-20-31(29-13-17-42-37(23-29)36-19-27(25-46)12-16-41(36)49-42)22-32(21-30)47-38-10-3-1-9-35(38)43-39(47)15-14-34-33-8-2-4-11-40(33)48-44(34)43/h1-29H;2*1-23H.
What are the key properties of 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile?
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile has a molecular weight of 1943.23 g/mol, XLogP of 36.77, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile;8-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile is sourced from PubChem (CID 157380302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).