ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene

C51H41FN2 — CID 143548301

IUPACethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene
SMILESC=C.Cc1cccc(-c2ccccc2)c1.Nc1cc(F)ccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C36H25FN2.C13H12.C2H4/c37-27-17-20-34(33(38)22-27)39-28-18-15-24(16-19-28)35-29-9-3-5-11-31(29)36(32-12-6-4-10-30(32)35)26-14-13-23-7-1-2-8-25(23)21-26;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h1-22,39H,38H2;2-10H,1H3;1-2H2
InChIKeyRFXCBYRFHOLNAN-UHFFFAOYSA-N
MW700.90 g/mol
LogP14.41
Rot. Bonds5

About ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene

ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene (PubChem CID 143548301) has the molecular formula C51H41FN2 and a molecular weight of 700.90 g/mol. Its IUPAC name is ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Nameethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene
PubChem CID143548301
Molecular FormulaC51H41FN2
Molecular Weight700.90 g/mol
Exact Mass700.33
IUPAC Nameethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene
SMILESC=C.Cc1cccc(-c2ccccc2)c1.Nc1cc(F)ccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C36H25FN2.C13H12.C2H4/c37-27-17-20-34(33(38)22-27)39-28-18-15-24(16-19-28)35-29-9-3-5-11-31(29)36(32-12-6-4-10-30(32)35)26-14-13-23-7-1-2-8-25(23)21-26;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h1-22,39H,38H2;2-10H,1H3;1-2H2
InChIKeyRFXCBYRFHOLNAN-UHFFFAOYSA-N
XLogP14.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.90
LogP ≤ 514.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[3-(10-naphthalen-2-ylanthracen-9-yl)anilino]benzonitrile;1-methyl-3-phenylbenzene
CID 143548316
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
CID 143548310
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
2-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzene-1,2-diamine
CID 134171896
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825

Frequently Asked Questions

What is the IUPAC name of ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene?
The IUPAC name of ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene (CID 143548301) is ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene.
What is the SMILES notation for ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene?
The canonical SMILES for ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene is C=C.Cc1cccc(-c2ccccc2)c1.Nc1cc(F)ccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene?
The InChIKey is RFXCBYRFHOLNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25FN2.C13H12.C2H4/c37-27-17-20-34(33(38)22-27)39-28-18-15-24(16-19-28)35-29-9-3-5-11-31(29)36(32-12-6-4-10-30(32)35)26-14-13-23-7-1-2-8-25(23)21-26;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2/h1-22,39H,38H2;2-10H,1H3;1-2H2.
What are the key properties of ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene?
ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene has a molecular weight of 700.90 g/mol, XLogP of 14.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene is sourced from PubChem (CID 143548301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).