N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine

C57H41N — CID 59294929

IUPACN,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(-c3cc(C)cc(-c4ccc(-c5cc6cccc7ccc8cccc5c8c76)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C57H41N/c1-36-18-28-46(29-19-36)58(47-30-20-37(2)21-31-47)57-51-15-6-4-13-48(51)55(49-14-5-7-16-52(49)57)45-33-38(3)32-44(34-45)39-22-24-40(25-23-39)53-35-43-12-8-10-41-26-27-42-11-9-17-50(53)56(42)54(41)43/h4-35H,1-3H3
InChIKeyYNYQMWVKTBGVOG-UHFFFAOYSA-N
MW739.96 g/mol
LogP16.29
Rot. Bonds6

About N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine

N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine (PubChem CID 59294929) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine
PubChem CID59294929
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC NameN,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(-c3cc(C)cc(-c4ccc(-c5cc6cccc7ccc8cccc5c8c76)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C57H41N/c1-36-18-28-46(29-19-36)58(47-30-20-37(2)21-31-47)57-51-15-6-4-13-48(51)55(49-14-5-7-16-52(49)57)45-33-38(3)32-44(34-45)39-22-24-40(25-23-39)53-35-43-12-8-10-41-26-27-42-11-9-17-50(53)56(42)54(41)43/h4-35H,1-3H3
InChIKeyYNYQMWVKTBGVOG-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
bis(N,N-bis(4-methylphenyl)-10-(3-methyl-5-pyren-4-ylphenyl)anthracen-9-amine);2,6-dimethyl-N,N-bis(4-methylphenyl)-10-(3-methyl-5-pyren-1-ylphenyl)anthracen-9-amine;10-[3-(3,7-dimethylpyren-1-yl)-5-methylphenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine;10-[3-(2,7-dimethylpyren-4-yl)-5-methylphenyl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;10-[3-(3-methoxy-7-methylpyren-1-yl)-5-methylphenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine;4-methyl-N-(4-methylphenyl)-N-[4-[10-(3-methyl-5-pyren-1-ylphenyl)anthracen-9-yl]phenyl]aniline;10-[3-methyl-5-(7-methylpyren-4-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 161099260
2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
CID 59294905
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
10-[3-(7-tert-butyl-3-methylpyren-1-yl)phenyl]-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 88938174
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
N,N-dimethyl-4-[10-(4-methylphenyl)pyren-4-yl]aniline
CID 159045938
N-(3,5-dimethylphenyl)-N-(4-pyren-2-ylphenyl)pyren-2-amine
CID 90168379
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
CID 157415217

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine (CID 59294929) is N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(-c3cc(C)cc(-c4ccc(-c5cc6cccc7ccc8cccc5c8c76)cc4)c3)c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine?
The InChIKey is YNYQMWVKTBGVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-36-18-28-46(29-19-36)58(47-30-20-37(2)21-31-47)57-51-15-6-4-13-48(51)55(49-14-5-7-16-52(49)57)45-33-38(3)32-44(34-45)39-22-24-40(25-23-39)53-35-43-12-8-10-41-26-27-42-11-9-17-50(53)56(42)54(41)43/h4-35H,1-3H3.
What are the key properties of N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine?
N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine has a molecular weight of 739.96 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine is sourced from PubChem (CID 59294929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).