2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione

C36H23NO2 — CID 155243858

IUPAC2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione
SMILESO=C1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C36H23NO2/c38-35-31-20-17-27(23-32(31)36(39)34-22-26-10-8-7-9-25(26)21-33(34)35)24-15-18-30(19-16-24)37(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H
InChIKeyMHBYOENVIQXZFN-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.75
Rot. Bonds4

About 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione

2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione (PubChem CID 155243858) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione.

Molecular Properties

Compound Name2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione
PubChem CID155243858
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC Name2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione
SMILESO=C1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C36H23NO2/c38-35-31-20-17-27(23-32(31)36(39)34-22-26-10-8-7-9-25(26)21-33(34)35)24-15-18-30(19-16-24)37(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H
InChIKeyMHBYOENVIQXZFN-UHFFFAOYSA-N
XLogP8.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
2,6-bis[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]anthracene-9,10-dione
CID 157366555
10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one
CID 134445098
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione?
The IUPAC name of 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione (CID 155243858) is 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione.
What is the SMILES notation for 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione?
The canonical SMILES for 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione is O=C1c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione?
The InChIKey is MHBYOENVIQXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c38-35-31-20-17-27(23-32(31)36(39)34-22-26-10-8-7-9-25(26)21-33(34)35)24-15-18-30(19-16-24)37(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H.
What are the key properties of 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione?
2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione has a molecular weight of 501.59 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione is sourced from PubChem (CID 155243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).