2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine

C44H31N — CID 59294905

IUPAC2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
SMILESCc1ccc2c(N(c3ccccc3)c3ccccc3)c3cc(C)ccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2c1
InChIInChI=1S/C44H31N/c1-28-17-23-38-39(26-28)43(36-25-21-32-19-18-30-10-9-11-31-20-24-35(36)42(32)41(30)31)37-22-16-29(2)27-40(37)44(38)45(33-12-5-3-6-13-33)34-14-7-4-8-15-34/h3-27H,1-2H3
InChIKeyGQBBEMIEBXIDNX-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.64
Rot. Bonds4

About 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine

2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine (PubChem CID 59294905) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine.

Molecular Properties

Compound Name2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
PubChem CID59294905
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
SMILESCc1ccc2c(N(c3ccccc3)c3ccccc3)c3cc(C)ccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2c1
InChIInChI=1S/C44H31N/c1-28-17-23-38-39(26-28)43(36-25-21-32-19-18-30-10-9-11-31-20-24-35(36)42(32)41(30)31)37-22-16-29(2)27-40(37)44(38)45(33-12-5-3-6-13-33)34-14-7-4-8-15-34/h3-27H,1-2H3
InChIKeyGQBBEMIEBXIDNX-UHFFFAOYSA-N
XLogP12.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.64
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

N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine
CID 59294930
2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
N,N-diphenyl-10-(5-pyren-1-ylthiophen-2-yl)anthracen-9-amine
CID 59294877
9-N,10-N-di(anthracen-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane
CID 91523910
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
N,N-bis(4-methylphenyl)-10-[3-methyl-5-(4-pyren-4-ylphenyl)phenyl]anthracen-9-amine
CID 59294929
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
8-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]pyren-1-amine
CID 171053181
1-(2-tert-butyl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 71414007

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine?
The IUPAC name of 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine (CID 59294905) is 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine.
What is the SMILES notation for 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine?
The canonical SMILES for 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine is Cc1ccc2c(N(c3ccccc3)c3ccccc3)c3cc(C)ccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2c1.
What is the InChIKey of 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine?
The InChIKey is GQBBEMIEBXIDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-28-17-23-38-39(26-28)43(36-25-21-32-19-18-30-10-9-11-31-20-24-35(36)42(32)41(30)31)37-22-16-29(2)27-40(37)44(38)45(33-12-5-3-6-13-33)34-14-7-4-8-15-34/h3-27H,1-2H3.
What are the key properties of 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine?
2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine has a molecular weight of 573.74 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine is sourced from PubChem (CID 59294905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).