ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline

C43H41N — CID 143269101

IUPACethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC.CCc1cc2ccccc2c2ccccc12.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21N.C16H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2/h2-19H,1H3;3-11H,2H2,1H3;1-2H3
InChIKeyDKINQKXVFOAKLD-UHFFFAOYSA-N
MW571.81 g/mol
LogP12.71
Rot. Bonds5

About ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline

ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 143269101) has the molecular formula C43H41N and a molecular weight of 571.81 g/mol. Its IUPAC name is ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Nameethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID143269101
Molecular FormulaC43H41N
Molecular Weight571.81 g/mol
Exact Mass571.32
IUPAC Nameethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESCC.CCc1cc2ccccc2c2ccccc12.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21N.C16H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2/h2-19H,1H3;3-11H,2H2,1H3;1-2H3
InChIKeyDKINQKXVFOAKLD-UHFFFAOYSA-N
XLogP12.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline (CID 143269101) is ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline is CC.CCc1cc2ccccc2c2ccccc12.Cc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is DKINQKXVFOAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.C16H14.C2H6/c1-20-12-16-24(17-13-20)26(23-10-6-3-7-11-23)25-18-14-22(15-19-25)21-8-4-2-5-9-21;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2/h2-19H,1H3;3-11H,2H2,1H3;1-2H3.
What are the key properties of ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline?
ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 571.81 g/mol, XLogP of 12.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethylphenanthrene;4-methyl-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143269101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).