ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C47H40N2 — CID 143650300

IUPACethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC.Cc1cccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C45H34N2.C2H6/c1-33-16-15-17-34(32-33)44-40-24-11-13-26-42(40)45(43-27-14-12-25-41(43)44)47(37-22-9-4-10-23-37)39-30-28-38(29-31-39)46(35-18-5-2-6-19-35)36-20-7-3-8-21-36;1-2/h2-32H,1H3;1-2H3
InChIKeyKGSXYMUIWGRUQY-UHFFFAOYSA-N
MW632.85 g/mol
LogP13.93
Rot. Bonds7

About ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 143650300) has the molecular formula C47H40N2 and a molecular weight of 632.85 g/mol. Its IUPAC name is ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID143650300
Molecular FormulaC47H40N2
Molecular Weight632.85 g/mol
Exact Mass632.32
IUPAC Nameethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCC.Cc1cccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C45H34N2.C2H6/c1-33-16-15-17-34(32-33)44-40-24-11-13-26-42(40)45(43-27-14-12-25-41(43)44)47(37-22-9-4-10-23-37)39-30-28-38(29-31-39)46(35-18-5-2-6-19-35)36-20-7-3-8-21-36;1-2/h2-32H,1H3;1-2H3
InChIKeyKGSXYMUIWGRUQY-UHFFFAOYSA-N
XLogP13.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 158542948
4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline
CID 143567000
N-(2-methyl-10-phenylanthracen-9-yl)-N,9-diphenylcarbazol-3-amine
CID 58273909
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 143650300) is ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is CC.Cc1cccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c1.
What is the InChIKey of ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is KGSXYMUIWGRUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2.C2H6/c1-33-16-15-17-34(32-33)44-40-24-11-13-26-42(40)45(43-27-14-12-25-41(43)44)47(37-22-9-4-10-23-37)39-30-28-38(29-31-39)46(35-18-5-2-6-19-35)36-20-7-3-8-21-36;1-2/h2-32H,1H3;1-2H3.
What are the key properties of ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 632.85 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 143650300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).