N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

C58H39NO — CID 168837062

IUPACN-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C58H39NO/c1-36-23-30-53(45-15-5-3-13-43(36)45)59(54-31-24-37(2)44-14-4-6-16-46(44)54)42-29-27-38-33-40(26-25-39(38)34-42)57-48-18-7-9-20-50(48)58(51-21-10-8-19-49(51)57)41-28-32-56-52(35-41)47-17-11-12-22-55(47)60-56/h3-35H,1-2H3
InChIKeyOBXKUFMKXYKFIZ-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.77
Rot. Bonds5

About N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 168837062) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID168837062
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C58H39NO/c1-36-23-30-53(45-15-5-3-13-43(36)45)59(54-31-24-37(2)44-14-4-6-16-46(44)54)42-29-27-38-33-40(26-25-39(38)34-42)57-48-18-7-9-20-50(48)58(51-21-10-8-19-49(51)57)41-28-32-56-52(35-41)47-17-11-12-22-55(47)60-56/h3-35H,1-2H3
InChIKeyOBXKUFMKXYKFIZ-UHFFFAOYSA-N
XLogP16.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.77
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

4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
CID 168837065
N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837143
N-(4-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 164774292
N-(4-dibenzofuran-2-ylphenyl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033497
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-(6-phenylnaphthalen-2-yl)-N,1-bis(3-phenylphenyl)dibenzofuran-2-amine
CID 177281469
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549

Frequently Asked Questions

What is the IUPAC name of N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (CID 168837062) is N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is Cc1ccc(N(c2ccc3cc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)ccc3c2)c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is OBXKUFMKXYKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-36-23-30-53(45-15-5-3-13-43(36)45)59(54-31-24-37(2)44-14-4-6-16-46(44)54)42-29-27-38-33-40(26-25-39(38)34-42)57-48-18-7-9-20-50(48)58(51-21-10-8-19-49(51)57)41-28-32-56-52(35-41)47-17-11-12-22-55(47)60-56/h3-35H,1-2H3.
What are the key properties of N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 765.96 g/mol, XLogP of 16.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 168837062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).