2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile

C106H55N9O3 — CID 146602089

IUPAC2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9c%11oc%12ccccc%12c%11ccc9n%10-c9c(C#N)ccc(C#N)c9-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c%10c%11oc%12ccccc%12c%11ccc%109)ccc87)cc6)cc5oc4c32)c(C#N)c1
InChIInChI=1S/C106H55N9O3/c107-56-60-26-43-86(69(50-60)59-110)113-89-23-11-4-16-72(89)78-39-40-81-77-38-31-66(55-98(77)118-106(81)103(78)113)61-29-36-71(37-30-61)112-88-22-10-6-18-74(88)83-52-63(33-45-91(83)112)65-35-47-93-85(54-65)100-95(49-42-80-76-20-8-13-25-97(76)117-105(80)100)115(93)102-68(58-109)28-27-67(57-108)101(102)114-92-46-34-64(53-84(92)99-94(114)48-41-79-75-19-7-12-24-96(75)116-104(79)99)62-32-44-90-82(51-62)73-17-5-9-21-87(73)111(90)70-14-2-1-3-15-70/h1-55H
InChIKeyYIALBJDQICASSH-UHFFFAOYSA-N
MW1502.67 g/mol
LogP27.36
Rot. Bonds8

About 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile

2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile (PubChem CID 146602089) has the molecular formula C106H55N9O3 and a molecular weight of 1502.67 g/mol. Its IUPAC name is 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
PubChem CID146602089
Molecular FormulaC106H55N9O3
Molecular Weight1502.67 g/mol
Exact Mass1501.44
IUPAC Name2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9c%11oc%12ccccc%12c%11ccc9n%10-c9c(C#N)ccc(C#N)c9-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c%10c%11oc%12ccccc%12c%11ccc%109)ccc87)cc6)cc5oc4c32)c(C#N)c1
InChIInChI=1S/C106H55N9O3/c107-56-60-26-43-86(69(50-60)59-110)113-89-23-11-4-16-72(89)78-39-40-81-77-38-31-66(55-98(77)118-106(81)103(78)113)61-29-36-71(37-30-61)112-88-22-10-6-18-74(88)83-52-63(33-45-91(83)112)65-35-47-93-85(54-65)100-95(49-42-80-76-20-8-13-25-97(76)117-105(80)100)115(93)102-68(58-109)28-27-67(57-108)101(102)114-92-46-34-64(53-84(92)99-94(114)48-41-79-75-19-7-12-24-96(75)116-104(79)99)62-32-44-90-82(51-62)73-17-5-9-21-87(73)111(90)70-14-2-1-3-15-70/h1-55H
InChIKeyYIALBJDQICASSH-UHFFFAOYSA-N
XLogP27.36
TPSA159.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.67
LogP ≤ 527.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile (CID 146602089) is 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc4c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9c%11oc%12ccccc%12c%11ccc9n%10-c9c(C#N)ccc(C#N)c9-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)cc%10c%10c%11oc%12ccccc%12c%11ccc%109)ccc87)cc6)cc5oc4c32)c(C#N)c1.
What is the InChIKey of 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The InChIKey is YIALBJDQICASSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H55N9O3/c107-56-60-26-43-86(69(50-60)59-110)113-89-23-11-4-16-72(89)78-39-40-81-77-38-31-66(55-98(77)118-106(81)103(78)113)61-29-36-71(37-30-61)112-88-22-10-6-18-74(88)83-52-63(33-45-91(83)112)65-35-47-93-85(54-65)100-95(49-42-80-76-20-8-13-25-97(76)117-105(80)100)115(93)102-68(58-109)28-27-67(57-108)101(102)114-92-46-34-64(53-84(92)99-94(114)48-41-79-75-19-7-12-24-96(75)116-104(79)99)62-32-44-90-82(51-62)73-17-5-9-21-87(73)111(90)70-14-2-1-3-15-70/h1-55H.
What are the key properties of 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile?
2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1502.67 g/mol, XLogP of 27.36, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[9-[4-[12-(2,4-dicyanophenyl)-[1]benzofuro[2,3-a]carbazol-9-yl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-3-[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 146602089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).