4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile

C23H12Cl2N2 — CID 139573003

IUPAC4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3cc(Cl)ccc3c3cc4ccc(Cl)cc4cc32)cc1
InChIInChI=1S/C23H12Cl2N2/c24-17-4-3-15-10-21-20-8-5-18(25)12-23(20)27(22(21)11-16(15)9-17)19-6-1-14(13-26)2-7-19/h1-12H
InChIKeyMEDCOEWGYWIPKH-UHFFFAOYSA-N
MW387.27 g/mol
LogP7.12
Rot. Bonds1

About 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile

4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile (PubChem CID 139573003) has the molecular formula C23H12Cl2N2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile
PubChem CID139573003
Molecular FormulaC23H12Cl2N2
Molecular Weight387.27 g/mol
Exact Mass386.04
IUPAC Name4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3cc(Cl)ccc3c3cc4ccc(Cl)cc4cc32)cc1
InChIInChI=1S/C23H12Cl2N2/c24-17-4-3-15-10-21-20-8-5-18(25)12-23(20)27(22(21)11-16(15)9-17)19-6-1-14(13-26)2-7-19/h1-12H
InChIKeyMEDCOEWGYWIPKH-UHFFFAOYSA-N
XLogP7.12
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(33-phenyl-33-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10(15),11,13,16,19,21,23,25,27,29,31-hexadecaen-12-yl)naphthalen-2-yl]benzonitrile
CID 152885616
4-(N-[3-(4-cyano-N-(4-cyanophenyl)anilino)-5-phenylbenzo[b]carbazol-8-yl]-4-isocyanoanilino)benzonitrile
CID 156626050
4-[4-(4-chlorophenyl)-5-(4-cyanophenyl)-1-(4-methylphenyl)pyrrolo[3,2-b]pyrrol-2-yl]benzonitrile
CID 134566035
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 115470947
4-[3-[4-(12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl)phenyl]quinoxalin-2-yl]benzonitrile
CID 139361725
4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
CID 134414868
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)carbazol-9-yl]benzonitrile
CID 146617362

Frequently Asked Questions

What is the IUPAC name of 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile?
The IUPAC name of 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile (CID 139573003) is 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile?
The canonical SMILES for 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile is N#Cc1ccc(-n2c3cc(Cl)ccc3c3cc4ccc(Cl)cc4cc32)cc1.
What is the InChIKey of 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile?
The InChIKey is MEDCOEWGYWIPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl2N2/c24-17-4-3-15-10-21-20-8-5-18(25)12-23(20)27(22(21)11-16(15)9-17)19-6-1-14(13-26)2-7-19/h1-12H.
What are the key properties of 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile?
4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile has a molecular weight of 387.27 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-dichlorobenzo[b]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 139573003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).