6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one

C25H18ClNO2 — CID 171406300

IUPAC6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
SMILESCCn1c2ccc(Cl)cc2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C25H18ClNO2/c1-2-27-20-14-13-18(26)15-19(20)23-21(16-9-5-3-6-10-16)22(25(28)29-24(23)27)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyYPZQFCGDVHZKKM-UHFFFAOYSA-N
MW399.88 g/mol
LogP6.76
Rot. Bonds3

About 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one

6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one (PubChem CID 171406300) has the molecular formula C25H18ClNO2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one.

Molecular Properties

Compound Name6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
PubChem CID171406300
Molecular FormulaC25H18ClNO2
Molecular Weight399.88 g/mol
Exact Mass399.10
IUPAC Name6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
SMILESCCn1c2ccc(Cl)cc2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C25H18ClNO2/c1-2-27-20-14-13-18(26)15-19(20)23-21(16-9-5-3-6-10-16)22(25(28)29-24(23)27)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyYPZQFCGDVHZKKM-UHFFFAOYSA-N
XLogP6.76
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
CID 171406306
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
ethyl 5-chloro-1-(cyclopropylmethyl)-3-phenylindole-2-carboxylate
CID 154106631
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
6-chloro-1-ethyl-3-[(E)-3-(1-ethylbenzimidazol-2-yl)prop-2-enoyl]-4-phenylquinolin-2-one
CID 134247952
1-butyl-6-chloro-3,1-benzoxazine-2,4-dione
CID 18803118
ethyl 2-(6-chloro-2-oxo-4-phenylchromen-3-yl)acetate
CID 54435125
6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
CID 15145308
7-chloro-3-phenylisochromen-1-one
CID 62706099
6-chloro-1-(2-methylpropyl)-3,1-benzoxazine-2,4-dione
CID 18803117
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
CID 139937850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The IUPAC name of 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one (CID 171406300) is 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one.
What is the SMILES notation for 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The canonical SMILES for 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one is CCn1c2ccc(Cl)cc2c2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc21.
What is the InChIKey of 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
The InChIKey is YPZQFCGDVHZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO2/c1-2-27-20-14-13-18(26)15-19(20)23-21(16-9-5-3-6-10-16)22(25(28)29-24(23)27)17-11-7-4-8-12-17/h3-15H,2H2,1H3.
What are the key properties of 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one?
6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one has a molecular weight of 399.88 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one is sourced from PubChem (CID 171406300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).