N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C52H39N — CID 59459845

IUPACN-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H39N/c1-36-21-28-42(29-22-36)53(43-30-23-37(2)24-31-43)44-32-25-40(26-33-44)51-45-17-9-11-19-47(45)52(48-20-12-10-18-46(48)51)49-34-27-41(38-13-5-3-6-14-38)35-50(49)39-15-7-4-8-16-39/h3-35H,1-2H3
InChIKeyYXVLBFWPHIEEGW-UHFFFAOYSA-N
MW677.89 g/mol
LogP14.75
Rot. Bonds7

About N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59459845) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59459845
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H39N/c1-36-21-28-42(29-22-36)53(43-30-23-37(2)24-31-43)44-32-25-40(26-33-44)51-45-17-9-11-19-47(45)52(48-20-12-10-18-46(48)51)49-34-27-41(38-13-5-3-6-14-38)35-50(49)39-15-7-4-8-16-39/h3-35H,1-2H3
InChIKeyYXVLBFWPHIEEGW-UHFFFAOYSA-N
XLogP14.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 514.75
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-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
CID 168837037
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
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
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,4-diphenylaniline
CID 169061959
5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline
CID 158894633
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59459845) is N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YXVLBFWPHIEEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-36-21-28-42(29-22-36)53(43-30-23-37(2)24-31-43)44-32-25-40(26-33-44)51-45-17-9-11-19-47(45)52(48-20-12-10-18-46(48)51)49-34-27-41(38-13-5-3-6-14-38)35-50(49)39-15-7-4-8-16-39/h3-35H,1-2H3.
What are the key properties of N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 677.89 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(2,4-diphenylphenyl)anthracen-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59459845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).