1,7-bis(1H-indol-5-yl)isoquinoline

C25H17N3 — CID 53379481

IUPAC1,7-bis(1H-indol-5-yl)isoquinoline
SMILESc1cc2ccc(-c3ccc4[nH]ccc4c3)cc2c(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C25H17N3/c1-2-18(17-3-5-23-19(13-17)8-10-26-23)15-22-16(1)7-12-28-25(22)21-4-6-24-20(14-21)9-11-27-24/h1-15,26-27H
InChIKeySUPAXFXVDHCZAJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.53
Rot. Bonds2

About 1,7-bis(1H-indol-5-yl)isoquinoline

1,7-bis(1H-indol-5-yl)isoquinoline (PubChem CID 53379481) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1,7-bis(1H-indol-5-yl)isoquinoline.

Molecular Properties

Compound Name1,7-bis(1H-indol-5-yl)isoquinoline
PubChem CID53379481
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name1,7-bis(1H-indol-5-yl)isoquinoline
SMILESc1cc2ccc(-c3ccc4[nH]ccc4c3)cc2c(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C25H17N3/c1-2-18(17-3-5-23-19(13-17)8-10-26-23)15-22-16(1)7-12-28-25(22)21-4-6-24-20(14-21)9-11-27-24/h1-15,26-27H
InChIKeySUPAXFXVDHCZAJ-UHFFFAOYSA-N
XLogP6.53
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis(1H-indol-5-yl)isoquinoline?
The IUPAC name of 1,7-bis(1H-indol-5-yl)isoquinoline (CID 53379481) is 1,7-bis(1H-indol-5-yl)isoquinoline.
What is the SMILES notation for 1,7-bis(1H-indol-5-yl)isoquinoline?
The canonical SMILES for 1,7-bis(1H-indol-5-yl)isoquinoline is c1cc2ccc(-c3ccc4[nH]ccc4c3)cc2c(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 1,7-bis(1H-indol-5-yl)isoquinoline?
The InChIKey is SUPAXFXVDHCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-2-18(17-3-5-23-19(13-17)8-10-26-23)15-22-16(1)7-12-28-25(22)21-4-6-24-20(14-21)9-11-27-24/h1-15,26-27H.
What are the key properties of 1,7-bis(1H-indol-5-yl)isoquinoline?
1,7-bis(1H-indol-5-yl)isoquinoline has a molecular weight of 359.43 g/mol, XLogP of 6.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(1H-indol-5-yl)isoquinoline is sourced from PubChem (CID 53379481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).