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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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).