1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine

C53H40N2 — CID 143548310

IUPAC1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
SMILESCc1ccccc1-c1cccc2ccccc12.Nc1ccccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C36H26N2.C17H14/c37-33-15-7-8-16-34(33)38-28-21-19-25(20-22-28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)27-18-17-24-9-1-2-10-26(24)23-27;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17/h1-23,38H,37H2;2-12H,1H3
InChIKeyRWFPQWOVIUZSMY-UHFFFAOYSA-N
MW704.92 g/mol
LogP14.62
Rot. Bonds5

About 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine

1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine (PubChem CID 143548310) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
PubChem CID143548310
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
SMILESCc1ccccc1-c1cccc2ccccc12.Nc1ccccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C36H26N2.C17H14/c37-33-15-7-8-16-34(33)38-28-21-19-25(20-22-28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)27-18-17-24-9-1-2-10-26(24)23-27;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17/h1-23,38H,37H2;2-12H,1H3
InChIKeyRWFPQWOVIUZSMY-UHFFFAOYSA-N
XLogP14.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 514.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
2-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzene-1,2-diamine
CID 134171896
propane;2-N-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)benzene-1,2-diamine
CID 145353449
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
ethene;4-fluoro-1-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine;1-methyl-3-phenylbenzene
CID 143548301
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
2-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzene-1,2-diamine;toluene
CID 145353167
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
9-[3-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-10-naphthalen-2-ylanthracene
CID 174112861
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine?
The IUPAC name of 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine (CID 143548310) is 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine is Cc1ccccc1-c1cccc2ccccc12.Nc1ccccc1Nc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine?
The InChIKey is RWFPQWOVIUZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2.C17H14/c37-33-15-7-8-16-34(33)38-28-21-19-25(20-22-28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)27-18-17-24-9-1-2-10-26(24)23-27;1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17/h1-23,38H,37H2;2-12H,1H3.
What are the key properties of 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine?
1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine has a molecular weight of 704.92 g/mol, XLogP of 14.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 143548310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).