2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione

C34H22N2O2 — CID 102164301

IUPAC2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N(c4ccccc4)c4ccccc4)ccc(c23)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C34H22N2O2/c37-33-28-19-10-18-27-31(35(24-13-3-1-4-14-24)25-15-5-2-6-16-25)22-21-29(32(27)28)34(38)36(33)30-20-9-12-23-11-7-8-17-26(23)30/h1-22H
InChIKeyNZCPANWYZYBCIA-UHFFFAOYSA-N
MW490.56 g/mol
LogP8.26
Rot. Bonds4

About 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione

2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione (PubChem CID 102164301) has the molecular formula C34H22N2O2 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
PubChem CID102164301
Molecular FormulaC34H22N2O2
Molecular Weight490.56 g/mol
Exact Mass490.17
IUPAC Name2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(N(c4ccccc4)c4ccccc4)ccc(c23)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C34H22N2O2/c37-33-28-19-10-18-27-31(35(24-13-3-1-4-14-24)25-15-5-2-6-16-25)22-21-29(32(27)28)34(38)36(33)30-20-9-12-23-11-7-8-17-26(23)30/h1-22H
InChIKeyNZCPANWYZYBCIA-UHFFFAOYSA-N
XLogP8.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
2-decyl-6-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino]benzo[de]isoquinoline-1,3-dione
CID 102353229
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561422
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N,N-diphenylnaphthalen-1-amine
CID 11392281
tert-butyl 4-[1,3-dioxo-6-(N-phenylanilino)benzo[de]isoquinolin-2-yl]butanoate
CID 156857071
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567349

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione (CID 102164301) is 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(N(c4ccccc4)c4ccccc4)ccc(c23)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is NZCPANWYZYBCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O2/c37-33-28-19-10-18-27-31(35(24-13-3-1-4-14-24)25-15-5-2-6-16-25)22-21-29(32(27)28)34(38)36(33)30-20-9-12-23-11-7-8-17-26(23)30/h1-22H.
What are the key properties of 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione?
2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 490.56 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102164301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).