2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

C64H36N4O — CID 155450671

IUPAC2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N4O/c65-37-47-32-49(67-56-26-23-44(43-16-10-15-42(31-43)39-11-2-1-3-12-39)35-54(56)62-50-17-6-4-13-40(50)21-28-58(62)67)33-48(38-66)64(47)68-57-27-24-45(36-55(57)63-51-18-7-5-14-41(51)22-29-59(63)68)46-25-30-61-53(34-46)52-19-8-9-20-60(52)69-61/h1-36H
InChIKeyPEJOWAQVYJJBSS-UHFFFAOYSA-N
MW877.02 g/mol
LogP16.83
Rot. Bonds5

About 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (PubChem CID 155450671) has the molecular formula C64H36N4O and a molecular weight of 877.02 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
PubChem CID155450671
Molecular FormulaC64H36N4O
Molecular Weight877.02 g/mol
Exact Mass876.29
IUPAC Name2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C64H36N4O/c65-37-47-32-49(67-56-26-23-44(43-16-10-15-42(31-43)39-11-2-1-3-12-39)35-54(56)62-50-17-6-4-13-40(50)21-28-58(62)67)33-48(38-66)64(47)68-57-27-24-45(36-55(57)63-51-18-7-5-14-41(51)22-29-59(63)68)46-25-30-61-53(34-46)52-19-8-9-20-60(52)69-61/h1-36H
InChIKeyPEJOWAQVYJJBSS-UHFFFAOYSA-N
XLogP16.83
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.02
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
2,6-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121307193
12-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166917242
2-(6-dibenzofuran-2-yl-9-phenylcarbazol-4-yl)benzonitrile
CID 148667920
10-[4-(9-bromodibenzofuran-2-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 134595020
2,4-bis(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-isocyanobenzonitrile;3,5-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,5-bis(2-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile
CID 162254371
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
12-[3-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449376
7-[9-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-10-phenylbenzo[c]carbazole
CID 162501390
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (CID 155450671) is 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)cc(C#N)c1-n1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2c2c3ccccc3ccc21.
What is the InChIKey of 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The InChIKey is PEJOWAQVYJJBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N4O/c65-37-47-32-49(67-56-26-23-44(43-16-10-15-42(31-43)39-11-2-1-3-12-39)35-54(56)62-50-17-6-4-13-40(50)21-28-58(62)67)33-48(38-66)64(47)68-57-27-24-45(36-55(57)63-51-18-7-5-14-41(51)22-29-59(63)68)46-25-30-61-53(34-46)52-19-8-9-20-60(52)69-61/h1-36H.
What are the key properties of 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile has a molecular weight of 877.02 g/mol, XLogP of 16.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)-5-[10-(3-phenylphenyl)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155450671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).