2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile

C29H21N3O — CID 135391950

IUPAC2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)c2c1
InChIInChI=1S/C29H21N3O/c1-17-11-14-24-22(15-17)26(27(32-24)19-8-3-2-4-9-19)25-21-13-12-18-7-5-6-10-20(18)28(21)33-29(31)23(25)16-30/h2-15,25,32H,31H2,1H3
InChIKeySFQFBIGFQAFWNK-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.51
Rot. Bonds2

About 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 135391950) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID135391950
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)c2c1
InChIInChI=1S/C29H21N3O/c1-17-11-14-24-22(15-17)26(27(32-24)19-8-3-2-4-9-19)25-21-13-12-18-7-5-6-10-20(18)28(21)33-29(31)23(25)16-30/h2-15,25,32H,31H2,1H3
InChIKeySFQFBIGFQAFWNK-UHFFFAOYSA-N
XLogP6.51
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile (CID 135391950) is 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile is Cc1ccc2[nH]c(-c3ccccc3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)c2c1.
What is the InChIKey of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is SFQFBIGFQAFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O/c1-17-11-14-24-22(15-17)26(27(32-24)19-8-3-2-4-9-19)25-21-13-12-18-7-5-6-10-20(18)28(21)33-29(31)23(25)16-30/h2-15,25,32H,31H2,1H3.
What are the key properties of 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 6.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 135391950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).