4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile

C75H55N5S — CID 139383067

IUPAC4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cccc3sc4ccccc4c23)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C75H55N5S/c1-41-16-24-60-51(32-41)52-33-42(2)17-25-61(52)77(60)72-59(40-76)73(78-62-26-18-43(3)34-53(62)54-35-44(4)19-27-63(54)78)75(80-66-30-22-47(7)38-57(66)58-39-48(8)23-31-67(58)80)71(50-13-11-15-69-70(50)49-12-9-10-14-68(49)81-69)74(72)79-64-28-20-45(5)36-55(64)56-37-46(6)21-29-65(56)79/h9-39H,1-8H3
InChIKeySRWQPRLEFCLOEO-UHFFFAOYSA-N
MW1058.37 g/mol
LogP20.45
Rot. Bonds5

About 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile

4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile (PubChem CID 139383067) has the molecular formula C75H55N5S and a molecular weight of 1058.37 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile
PubChem CID139383067
Molecular FormulaC75H55N5S
Molecular Weight1058.37 g/mol
Exact Mass1057.42
IUPAC Name4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cccc3sc4ccccc4c23)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C75H55N5S/c1-41-16-24-60-51(32-41)52-33-42(2)17-25-61(52)77(60)72-59(40-76)73(78-62-26-18-43(3)34-53(62)54-35-44(4)19-27-63(54)78)75(80-66-30-22-47(7)38-57(66)58-39-48(8)23-31-67(58)80)71(50-13-11-15-69-70(50)49-12-9-10-14-68(49)81-69)74(72)79-64-28-20-45(5)36-55(64)56-37-46(6)21-29-65(56)79/h9-39H,1-8H3
InChIKeySRWQPRLEFCLOEO-UHFFFAOYSA-N
XLogP20.45
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.37
LogP ≤ 520.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile 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

4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(2-phenylcarbazol-9-yl)benzonitrile
CID 139368530
2,6-di(dibenzothiophen-1-yl)-3,4,5-tris(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 139442062
2,6-di(dibenzothiophen-1-yl)-3,4,5-tris[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137369199
2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-a]carbazol-12-yl)benzonitrile
CID 170001445
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,4-ditert-butylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 146631539
4,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2,5-di(dibenzothiophen-1-yl)benzene-1,3-dicarbonitrile
CID 164819827
4-([1]benzothiolo[3,2-b]pyridin-7-yl)-2,3,5,6-tetrakis(2-methylcarbazol-9-yl)benzonitrile
CID 139368613
1-(2-methyl-10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene
CID 59195819
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
CID 175634748
3,5-bis(3,6-dimethylcarbazol-9-yl)-2,6-bis(3-fluorocarbazol-9-yl)-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile
CID 146631538

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile (CID 139383067) is 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cccc3sc4ccccc4c23)c1-n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile?
The InChIKey is SRWQPRLEFCLOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55N5S/c1-41-16-24-60-51(32-41)52-33-42(2)17-25-61(52)77(60)72-59(40-76)73(78-62-26-18-43(3)34-53(62)54-35-44(4)19-27-63(54)78)75(80-66-30-22-47(7)38-57(66)58-39-48(8)23-31-67(58)80)71(50-13-11-15-69-70(50)49-12-9-10-14-68(49)81-69)74(72)79-64-28-20-45(5)36-55(64)56-37-46(6)21-29-65(56)79/h9-39H,1-8H3.
What are the key properties of 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile?
4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile has a molecular weight of 1058.37 g/mol, XLogP of 20.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 139383067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).