9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile

C50H26N4O2 — CID 118396690

IUPAC9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccc(C#N)cc%109)cc8c7c6)cc5c4c3)c2c1
InChIInChI=1S/C50H26N4O2/c51-27-29-9-15-37-35-5-1-3-7-43(35)53(45(37)21-29)33-13-19-49-41(25-33)39-23-31(11-17-47(39)55-49)32-12-18-48-40(24-32)42-26-34(14-20-50(42)56-48)54-44-8-4-2-6-36(44)38-16-10-30(28-52)22-46(38)54/h1-26H
InChIKeyRDMIJEMQOKXEEK-UHFFFAOYSA-N
MW714.78 g/mol
LogP13.09
Rot. Bonds3

About 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile

9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile (PubChem CID 118396690) has the molecular formula C50H26N4O2 and a molecular weight of 714.78 g/mol. Its IUPAC name is 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
PubChem CID118396690
Molecular FormulaC50H26N4O2
Molecular Weight714.78 g/mol
Exact Mass714.21
IUPAC Name9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccc(C#N)cc%109)cc8c7c6)cc5c4c3)c2c1
InChIInChI=1S/C50H26N4O2/c51-27-29-9-15-37-35-5-1-3-7-43(35)53(45(37)21-29)33-13-19-49-41(25-33)39-23-31(11-17-47(39)55-49)32-12-18-48-40(24-32)42-26-34(14-20-50(42)56-48)54-44-8-4-2-6-36(44)38-16-10-30(28-52)22-46(38)54/h1-26H
InChIKeyRDMIJEMQOKXEEK-UHFFFAOYSA-N
XLogP13.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.78
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
8-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]dibenzothiophene-2-carbonitrile
CID 89436586
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile?
The IUPAC name of 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile (CID 118396690) is 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccc(C#N)cc%109)cc8c7c6)cc5c4c3)c2c1.
What is the InChIKey of 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile?
The InChIKey is RDMIJEMQOKXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O2/c51-27-29-9-15-37-35-5-1-3-7-43(35)53(45(37)21-29)33-13-19-49-41(25-33)39-23-31(11-17-47(39)55-49)32-12-18-48-40(24-32)42-26-34(14-20-50(42)56-48)54-44-8-4-2-6-36(44)38-16-10-30(28-52)22-46(38)54/h1-26H.
What are the key properties of 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile?
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile has a molecular weight of 714.78 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile is sourced from PubChem (CID 118396690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).