9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine

C58H52N2O4 — CID 58855173

IUPAC9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(-c4cc(C)cc(C)c4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4c(-c4cc(C)cc(C)c4)c3c2)cc1
InChIInChI=1S/C58H52N2O4/c1-37-29-38(2)32-41(31-37)57-53-27-17-48(60(45-13-23-51(63-7)24-14-45)46-15-25-52(64-8)26-16-46)36-56(53)58(42-33-39(3)30-40(4)34-42)54-28-18-47(35-55(54)57)59(43-9-19-49(61-5)20-10-43)44-11-21-50(62-6)22-12-44/h9-36H,1-8H3
InChIKeyLSRSKSCGRRHGLE-UHFFFAOYSA-N
MW841.06 g/mol
LogP15.53
Rot. Bonds12

About 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine

9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine (PubChem CID 58855173) has the molecular formula C58H52N2O4 and a molecular weight of 841.06 g/mol. Its IUPAC name is 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
PubChem CID58855173
Molecular FormulaC58H52N2O4
Molecular Weight841.06 g/mol
Exact Mass840.39
IUPAC Name9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(-c4cc(C)cc(C)c4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4c(-c4cc(C)cc(C)c4)c3c2)cc1
InChIInChI=1S/C58H52N2O4/c1-37-29-38(2)32-41(31-37)57-53-27-17-48(60(45-13-23-51(63-7)24-14-45)46-15-25-52(64-8)26-16-46)36-56(53)58(42-33-39(3)30-40(4)34-42)54-28-18-47(35-55(54)57)59(43-9-19-49(61-5)20-10-43)44-11-21-50(62-6)22-12-44/h9-36H,1-8H3
InChIKeyLSRSKSCGRRHGLE-UHFFFAOYSA-N
XLogP15.53
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.06
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-methoxyphenyl)-9,10-dinaphthalen-2-ylanthracen-2-amine
CID 162497114
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine?
The IUPAC name of 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine (CID 58855173) is 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine?
The canonical SMILES for 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(-c4cc(C)cc(C)c4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4c(-c4cc(C)cc(C)c4)c3c2)cc1.
What is the InChIKey of 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine?
The InChIKey is LSRSKSCGRRHGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52N2O4/c1-37-29-38(2)32-41(31-37)57-53-27-17-48(60(45-13-23-51(63-7)24-14-45)46-15-25-52(64-8)26-16-46)36-56(53)58(42-33-39(3)30-40(4)34-42)54-28-18-47(35-55(54)57)59(43-9-19-49(61-5)20-10-43)44-11-21-50(62-6)22-12-44/h9-36H,1-8H3.
What are the key properties of 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine?
9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine has a molecular weight of 841.06 g/mol, XLogP of 15.53, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrakis(4-methoxyphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 58855173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).