5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline

C28H17Cl2N — CID 135059689

IUPAC5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline
SMILESClc1ccc(-c2c(-c3ccc(Cl)cc3)n3c4ccccc4cc3c3ccccc23)cc1
InChIInChI=1S/C28H17Cl2N/c29-21-13-9-18(10-14-21)27-24-7-3-2-6-23(24)26-17-20-5-1-4-8-25(20)31(26)28(27)19-11-15-22(30)16-12-19/h1-17H
InChIKeyFJTBAKHPBFKBDQ-UHFFFAOYSA-N
MW438.36 g/mol
LogP8.89
Rot. Bonds2

About 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline

5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline (PubChem CID 135059689) has the molecular formula C28H17Cl2N and a molecular weight of 438.36 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline
PubChem CID135059689
Molecular FormulaC28H17Cl2N
Molecular Weight438.36 g/mol
Exact Mass437.07
IUPAC Name5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline
SMILESClc1ccc(-c2c(-c3ccc(Cl)cc3)n3c4ccccc4cc3c3ccccc23)cc1
InChIInChI=1S/C28H17Cl2N/c29-21-13-9-18(10-14-21)27-24-7-3-2-6-23(24)26-17-20-5-1-4-8-25(20)31(26)28(27)19-11-15-22(30)16-12-19/h1-17H
InChIKeyFJTBAKHPBFKBDQ-UHFFFAOYSA-N
XLogP8.89
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
CID 56648998
7-(4-chlorophenyl)benzo[a]quinolizin-6-one
CID 132564751
5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
CID 168875275
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
1-(2,4-dichlorophenyl)-2,3-diphenylindole
CID 154721682
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
4-(4-chlorophenyl)pyrrolo[1,2-a]quinoline
CID 42612557
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
3-(4-chlorophenyl)naphthalen-1-amine
CID 56642068
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline?
The IUPAC name of 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline (CID 135059689) is 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline?
The canonical SMILES for 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline is Clc1ccc(-c2c(-c3ccc(Cl)cc3)n3c4ccccc4cc3c3ccccc23)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline?
The InChIKey is FJTBAKHPBFKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl2N/c29-21-13-9-18(10-14-21)27-24-7-3-2-6-23(24)26-17-20-5-1-4-8-25(20)31(26)28(27)19-11-15-22(30)16-12-19/h1-17H.
What are the key properties of 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline?
5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline has a molecular weight of 438.36 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)indolo[2,1-a]isoquinoline is sourced from PubChem (CID 135059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).