5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile

C100H50N8O4 — CID 155377913

IUPAC5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cc(-c8cccc(C#N)c8)c(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)cc7C#N)c6c6c5oc5ccccc56)c5c6ccccc6oc5c43)c(C#N)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C100H50N8O4/c101-51-55-19-17-21-57(43-55)72-49-82(59(53-103)45-84(72)107-78-31-9-1-23-61(78)66-41-42-90-92(94(66)107)70-29-7-14-36-87(70)109-90)105-80-33-11-3-25-63(80)75-48-77(98-93(95(75)105)71-30-8-16-38-89(71)110-98)74-47-76-64-26-4-12-34-81(64)106(97(76)100-91(74)69-28-6-15-37-88(69)112-100)83-50-73(58-22-18-20-56(44-58)52-102)85(46-60(83)54-104)108-79-32-10-2-24-62(79)67-39-40-68-65-27-5-13-35-86(65)111-99(68)96(67)108/h1-50H
InChIKeyWTGAACQBVLWXHP-UHFFFAOYSA-N
MW1427.55 g/mol
LogP26.16
Rot. Bonds7

About 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile

5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 155377913) has the molecular formula C100H50N8O4 and a molecular weight of 1427.55 g/mol. Its IUPAC name is 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID155377913
Molecular FormulaC100H50N8O4
Molecular Weight1427.55 g/mol
Exact Mass1426.40
IUPAC Name5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cc(-c8cccc(C#N)c8)c(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)cc7C#N)c6c6c5oc5ccccc56)c5c6ccccc6oc5c43)c(C#N)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C100H50N8O4/c101-51-55-19-17-21-57(43-55)72-49-82(59(53-103)45-84(72)107-78-31-9-1-23-61(78)66-41-42-90-92(94(66)107)70-29-7-14-36-87(70)109-90)105-80-33-11-3-25-63(80)75-48-77(98-93(95(75)105)71-30-8-16-38-89(71)110-98)74-47-76-64-26-4-12-34-81(64)106(97(76)100-91(74)69-28-6-15-37-88(69)112-100)83-50-73(58-22-18-20-56(44-58)52-102)85(46-60(83)54-104)108-79-32-10-2-24-62(79)67-39-40-68-65-27-5-13-35-86(65)111-99(68)96(67)108/h1-50H
InChIKeyWTGAACQBVLWXHP-UHFFFAOYSA-N
XLogP26.16
TPSA167.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001427.55
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile with MolForge

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Related Compounds

3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159419
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129291160
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
3,4,5-tris([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(3-cyanophenyl)benzonitrile
CID 139432764
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664673
3-[2,4-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 142465870
4-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508601
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129299824
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-6-cyanophenyl]dibenzofuran-2-carbonitrile;2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile;3-([1]benzofuro[2,3-a]carbazol-12-yl)-4-dibenzofuran-2-ylbenzonitrile;8-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]dibenzofuran-2-carbonitrile
CID 160750863

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile (CID 155377913) is 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7cc(-c8cccc(C#N)c8)c(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)cc7C#N)c6c6c5oc5ccccc56)c5c6ccccc6oc5c43)c(C#N)cc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is WTGAACQBVLWXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H50N8O4/c101-51-55-19-17-21-57(43-55)72-49-82(59(53-103)45-84(72)107-78-31-9-1-23-61(78)66-41-42-90-92(94(66)107)70-29-7-14-36-87(70)109-90)105-80-33-11-3-25-63(80)75-48-77(98-93(95(75)105)71-30-8-16-38-89(71)110-98)74-47-76-64-26-4-12-34-81(64)106(97(76)100-91(74)69-28-6-15-37-88(69)112-100)83-50-73(58-22-18-20-56(44-58)52-102)85(46-60(83)54-104)108-79-32-10-2-24-62(79)67-39-40-68-65-27-5-13-35-86(65)111-99(68)96(67)108/h1-50H.
What are the key properties of 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile?
5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile has a molecular weight of 1427.55 g/mol, XLogP of 26.16, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[6-[12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyano-5-(3-cyanophenyl)phenyl]-[1]benzofuro[2,3-a]carbazol-6-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).