1-(4-phenylphenyl)benzo[cd]indol-2-one

C23H15NO — CID 629397

IUPAC1-(4-phenylphenyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15NO/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H
InChIKeyLBEUOFYUAJUPQX-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.80
Rot. Bonds2

About 1-(4-phenylphenyl)benzo[cd]indol-2-one

1-(4-phenylphenyl)benzo[cd]indol-2-one (PubChem CID 629397) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-phenylphenyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)benzo[cd]indol-2-one
PubChem CID629397
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name1-(4-phenylphenyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15NO/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H
InChIKeyLBEUOFYUAJUPQX-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylphenyl)benzo[cd]indole-2-thione
CID 630715
2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
CID 156568699
11-phenyl-16-(4-phenylphenyl)-4λ4-thia-11,16-diazahexacyclo[15.7.1.02,15.03,12.05,10.021,25]pentacosa-1(24),2(15),3(12),5,7,9,13,17,19,21(25),22-undecaene 4-oxide
CID 163504704
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129133944
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-[6-[2-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 72565697
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354
2-(4-aminosulfanylphenyl)benzo[de]isoquinoline-1,3-dione
CID 123241495
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)naphthalen-1-yl]-2-phenylbenzo[de]isoquinoline-1,3-dione;6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 158544126
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234238

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(4-phenylphenyl)benzo[cd]indol-2-one (CID 629397) is 1-(4-phenylphenyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(4-phenylphenyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(4-phenylphenyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)benzo[cd]indol-2-one?
The InChIKey is LBEUOFYUAJUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H.
What are the key properties of 1-(4-phenylphenyl)benzo[cd]indol-2-one?
1-(4-phenylphenyl)benzo[cd]indol-2-one has a molecular weight of 321.38 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)benzo[cd]indol-2-one is sourced from PubChem (CID 629397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).