6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile

C62H36F2N4 — CID 154960025

IUPAC6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2ccccc2c2ccc(C3c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C62H36F2N4/c63-39-31-38(32-40(64)34-39)42-29-30-58(67-56-23-11-7-17-47(56)50-28-26-41(35-60(50)67)66-54-21-9-5-15-45(54)46-16-6-10-22-55(46)66)53(36-65)62(42)68-57-24-12-8-18-48(57)49-27-25-37(33-59(49)68)61-51-19-3-1-13-43(51)44-14-2-4-20-52(44)61/h1-35,61H
InChIKeyWBLSMHZHUJVSSM-UHFFFAOYSA-N
MW874.99 g/mol
LogP15.96
Rot. Bonds5

About 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile

6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile (PubChem CID 154960025) has the molecular formula C62H36F2N4 and a molecular weight of 874.99 g/mol. Its IUPAC name is 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile
PubChem CID154960025
Molecular FormulaC62H36F2N4
Molecular Weight874.99 g/mol
Exact Mass874.29
IUPAC Name6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2ccccc2c2ccc(C3c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C62H36F2N4/c63-39-31-38(32-40(64)34-39)42-29-30-58(67-56-23-11-7-17-47(56)50-28-26-41(35-60(50)67)66-54-21-9-5-15-45(54)46-16-6-10-22-55(46)66)53(36-65)62(42)68-57-24-12-8-18-48(57)49-27-25-37(33-59(49)68)61-51-19-3-1-13-43(51)44-14-2-4-20-52(44)61/h1-35,61H
InChIKeyWBLSMHZHUJVSSM-UHFFFAOYSA-N
XLogP15.96
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.99
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-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

2,6-bis(2-carbazol-9-ylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386541
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 142508548
2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile
CID 154959862
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427685
3-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 148620715
2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]-3-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427397
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole
CID 161216677
4-(3,5-difluorophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 142489544
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750

Frequently Asked Questions

What is the IUPAC name of 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile (CID 154960025) is 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2ccccc2c2ccc(C3c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile?
The InChIKey is WBLSMHZHUJVSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36F2N4/c63-39-31-38(32-40(64)34-39)42-29-30-58(67-56-23-11-7-17-47(56)50-28-26-41(35-60(50)67)66-54-21-9-5-15-45(54)46-16-6-10-22-55(46)66)53(36-65)62(42)68-57-24-12-8-18-48(57)49-27-25-37(33-59(49)68)61-51-19-3-1-13-43(51)44-14-2-4-20-52(44)61/h1-35,61H.
What are the key properties of 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile?
6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile has a molecular weight of 874.99 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carbazol-9-ylcarbazol-9-yl)-3-(3,5-difluorophenyl)-2-[2-(9H-fluoren-9-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 154960025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).