2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine

C66H46N4 — CID 58855241

IUPAC2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine
SMILESCc1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccc(C)cc5)c5ccc6ccccc6n5)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C66H46N4/c1-43-19-29-53(30-20-43)69(63-37-27-47-13-7-9-17-61(47)67-63)55-33-35-57-59(41-55)65(51-25-23-45-11-3-5-15-49(45)39-51)58-36-34-56(42-60(58)66(57)52-26-24-46-12-4-6-16-50(46)40-52)70(54-31-21-44(2)22-32-54)64-38-28-48-14-8-10-18-62(48)68-64/h3-42H,1-2H3
InChIKeyWOFALDPYJRXTKO-UHFFFAOYSA-N
MW895.12 g/mol
LogP18.29
Rot. Bonds8

About 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine

2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine (PubChem CID 58855241) has the molecular formula C66H46N4 and a molecular weight of 895.12 g/mol. Its IUPAC name is 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine
PubChem CID58855241
Molecular FormulaC66H46N4
Molecular Weight895.12 g/mol
Exact Mass894.37
IUPAC Name2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine
SMILESCc1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccc(C)cc5)c5ccc6ccccc6n5)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C66H46N4/c1-43-19-29-53(30-20-43)69(63-37-27-47-13-7-9-17-61(47)67-63)55-33-35-57-59(41-55)65(51-25-23-45-11-3-5-15-49(45)39-51)58-36-34-56(42-60(58)66(57)52-26-24-46-12-4-6-16-50(46)40-52)70(54-31-21-44(2)22-32-54)64-38-28-48-14-8-10-18-62(48)68-64/h3-42H,1-2H3
InChIKeyWOFALDPYJRXTKO-UHFFFAOYSA-N
XLogP18.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
3-N,8-N-bis(4-methylphenyl)-3-N,8-N,5,10-tetranaphthalen-2-ylbenzo[g]isoquinoline-3,8-diamine
CID 70882523
N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine
CID 58121678
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
CID 162497114
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine (CID 58855241) is 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine is Cc1ccc(N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccc(C)cc5)c5ccc6ccccc6n5)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine?
The InChIKey is WOFALDPYJRXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4/c1-43-19-29-53(30-20-43)69(63-37-27-47-13-7-9-17-61(47)67-63)55-33-35-57-59(41-55)65(51-25-23-45-11-3-5-15-49(45)39-51)58-36-34-56(42-60(58)66(57)52-26-24-46-12-4-6-16-50(46)40-52)70(54-31-21-44(2)22-32-54)64-38-28-48-14-8-10-18-62(48)68-64/h3-42H,1-2H3.
What are the key properties of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine?
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine has a molecular weight of 895.12 g/mol, XLogP of 18.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-di(quinolin-2-yl)anthracene-2,6-diamine is sourced from PubChem (CID 58855241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).