4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile

C100H50N8O4 — CID 155377778

IUPAC4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-n3c4ccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)c(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6C#N)cc5C#N)cc4c4ccc5oc6ccccc6c5c43)cc2C#N)c1
InChIInChI=1S/C100H50N8O4/c101-51-55-16-15-17-56(44-55)76-49-85(105-79-25-8-1-18-63(79)68-39-42-91-93(95(68)105)74-23-6-13-30-89(74)109-91)83(47-60(76)53-103)106-82-41-33-58(46-78(82)71-40-43-92-94(96(71)106)75-24-7-14-31-90(75)110-92)62-34-32-57(45-59(62)52-102)77-50-86(108-81-27-10-3-20-65(81)70-36-38-73-67-22-5-12-29-88(67)112-100(73)98(70)108)84(48-61(77)54-104)107-80-26-9-2-19-64(80)69-35-37-72-66-21-4-11-28-87(66)111-99(72)97(69)107/h1-50H
InChIKeyZIBFNESISVSJPY-UHFFFAOYSA-N
MW1427.55 g/mol
LogP26.16
Rot. Bonds7

About 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile

4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile (PubChem CID 155377778) has the molecular formula C100H50N8O4 and a molecular weight of 1427.55 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile
PubChem CID155377778
Molecular FormulaC100H50N8O4
Molecular Weight1427.55 g/mol
Exact Mass1426.40
IUPAC Name4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-n3c4ccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)c(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6C#N)cc5C#N)cc4c4ccc5oc6ccccc6c5c43)cc2C#N)c1
InChIInChI=1S/C100H50N8O4/c101-51-55-16-15-17-56(44-55)76-49-85(105-79-25-8-1-18-63(79)68-39-42-91-93(95(68)105)74-23-6-13-30-89(74)109-91)83(47-60(76)53-103)106-82-41-33-58(46-78(82)71-40-43-92-94(96(71)106)75-24-7-14-31-90(75)110-92)62-34-32-57(45-59(62)52-102)77-50-86(108-81-27-10-3-20-65(81)70-36-38-73-67-22-5-12-29-88(67)112-100(73)98(70)108)84(48-61(77)54-104)107-80-26-9-2-19-64(80)69-35-37-72-66-21-4-11-28-87(66)111-99(72)97(69)107/h1-50H
InChIKeyZIBFNESISVSJPY-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 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile?
The IUPAC name of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile (CID 155377778) is 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(-n3c4ccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)c(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6C#N)cc5C#N)cc4c4ccc5oc6ccccc6c5c43)cc2C#N)c1.
What is the InChIKey of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile?
The InChIKey is ZIBFNESISVSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H50N8O4/c101-51-55-16-15-17-56(44-55)76-49-85(105-79-25-8-1-18-63(79)68-39-42-91-93(95(68)105)74-23-6-13-30-89(74)109-91)83(47-60(76)53-103)106-82-41-33-58(46-78(82)71-40-43-92-94(96(71)106)75-24-7-14-31-90(75)110-92)62-34-32-57(45-59(62)52-102)77-50-86(108-81-27-10-3-20-65(81)70-36-38-73-67-22-5-12-29-88(67)112-100(73)98(70)108)84(48-61(77)54-104)107-80-26-9-2-19-64(80)69-35-37-72-66-21-4-11-28-87(66)111-99(72)97(69)107/h1-50H.
What are the key properties of 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile?
4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(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 4-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[9-[4-[4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-cyanophenyl]-2-cyanophenyl]-[1]benzofuro[3,2-a]carbazol-12-yl]-2-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).