N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene

C85H65N — CID 143567044

IUPACN-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)c3)c3ccccc23)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C65H45N.C13H12.C7H8/c1-44-31-33-47(34-32-44)62-54-23-8-12-27-58(54)64(59-28-13-9-24-55(59)62)49-19-16-20-50(43-49)65-60-29-14-10-25-56(60)63(57-26-11-15-30-61(57)65)48-37-41-53(42-38-48)66(51-21-6-3-7-22-51)52-39-35-46(36-40-52)45-17-4-2-5-18-45;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-43H,1H3;2-10H,1H3;2-6H,1H3
InChIKeyALVFZVRVPQGEGB-UHFFFAOYSA-N
MW1100.46 g/mol
LogP24.07
Rot. Bonds9

About N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene

N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene (PubChem CID 143567044) has the molecular formula C85H65N and a molecular weight of 1100.46 g/mol. Its IUPAC name is N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene.

Molecular Properties

Compound NameN-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
PubChem CID143567044
Molecular FormulaC85H65N
Molecular Weight1100.46 g/mol
Exact Mass1099.51
IUPAC NameN-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
SMILESCc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)c3)c3ccccc23)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C65H45N.C13H12.C7H8/c1-44-31-33-47(34-32-44)62-54-23-8-12-27-58(54)64(59-28-13-9-24-55(59)62)49-19-16-20-50(43-49)65-60-29-14-10-25-56(60)63(57-26-11-15-30-61(57)65)48-37-41-53(42-38-48)66(51-21-6-3-7-22-51)52-39-35-46(36-40-52)45-17-4-2-5-18-45;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-43H,1H3;2-10H,1H3;2-6H,1H3
InChIKeyALVFZVRVPQGEGB-UHFFFAOYSA-N
XLogP24.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.46
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline
CID 143567000
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59459845
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene?
The IUPAC name of 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) is N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene.
What is the SMILES notation for N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene?
The canonical SMILES for N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene is Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)c3)c3ccccc23)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.
What is the InChIKey of N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene?
The InChIKey is ALVFZVRVPQGEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N.C13H12.C7H8/c1-44-31-33-47(34-32-44)62-54-23-8-12-27-58(54)64(59-28-13-9-24-55(59)62)49-19-16-20-50(43-49)65-60-29-14-10-25-56(60)63(57-26-11-15-30-61(57)65)48-37-41-53(42-38-48)66(51-21-6-3-7-22-51)52-39-35-46(36-40-52)45-17-4-2-5-18-45;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h2-43H,1H3;2-10H,1H3;2-6H,1H3.
What are the key properties of N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene?
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene has a molecular weight of 1100.46 g/mol, XLogP of 24.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene is sourced from PubChem (CID 143567044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).