2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine

C60H44N2 — CID 90194196

IUPAC2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C60H44N2/c1-41-21-29-51(30-22-41)61(49-17-5-3-6-18-49)53-33-35-55-57(39-53)59(47-27-25-43-13-9-11-15-45(43)37-47)56-36-34-54(62(50-19-7-4-8-20-50)52-31-23-42(2)24-32-52)40-58(56)60(55)48-28-26-44-14-10-12-16-46(44)38-48/h3-40H,1-2H3
InChIKeyBDBPNCUDVNZLPG-UHFFFAOYSA-N
MW793.03 g/mol
LogP17.19
Rot. Bonds8

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

2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 90194196) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
PubChem CID90194196
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C60H44N2/c1-41-21-29-51(30-22-41)61(49-17-5-3-6-18-49)53-33-35-55-57(39-53)59(47-27-25-43-13-9-11-15-45(43)37-47)56-36-34-54(62(50-19-7-4-8-20-50)52-31-23-42(2)24-32-52)40-58(56)60(55)48-28-26-44-14-10-12-16-46(44)38-48/h3-40H,1-2H3
InChIKeyBDBPNCUDVNZLPG-UHFFFAOYSA-N
XLogP17.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163

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-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine (CID 90194196) is 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-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-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
The InChIKey is BDBPNCUDVNZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-41-21-29-51(30-22-41)61(49-17-5-3-6-18-49)53-33-35-55-57(39-53)59(47-27-25-43-13-9-11-15-45(43)37-47)56-36-34-54(62(50-19-7-4-8-20-50)52-31-23-42(2)24-32-52)40-58(56)60(55)48-28-26-44-14-10-12-16-46(44)38-48/h3-40H,1-2H3.
What are the key properties of 2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 793.03 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 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-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 90194196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).