N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

C54H37NO — CID 168837143

IUPACN-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C54H37NO/c1-34-23-31-49(41-15-5-3-13-39(34)41)55(50-32-24-35(2)40-14-4-6-16-42(40)50)38-28-25-36(26-29-38)53-45-18-7-9-20-47(45)54(48-21-10-8-19-46(48)53)37-27-30-44-43-17-11-12-22-51(43)56-52(44)33-37/h3-33H,1-2H3
InChIKeyZTUQQAUXHBXTPH-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.62
Rot. Bonds5

About N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine

N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 168837143) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID168837143
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2)c2ccc(C)c3ccccc23)c2ccccc12
InChIInChI=1S/C54H37NO/c1-34-23-31-49(41-15-5-3-13-39(34)41)55(50-32-24-35(2)40-14-4-6-16-42(40)50)38-28-25-36(26-29-38)53-45-18-7-9-20-47(45)54(48-21-10-8-19-46(48)53)37-27-30-44-43-17-11-12-22-51(43)56-52(44)33-37/h3-33H,1-2H3
InChIKeyZTUQQAUXHBXTPH-UHFFFAOYSA-N
XLogP15.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.62
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

N-[6-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837062
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814
N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118178078
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277334
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176781189

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine (CID 168837143) is N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is Cc1ccc(N(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc2)c2ccc(C)c3ccccc23)c2ccccc12.
What is the InChIKey of N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is ZTUQQAUXHBXTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-34-23-31-49(41-15-5-3-13-39(34)41)55(50-32-24-35(2)40-14-4-6-16-42(40)50)38-28-25-36(26-29-38)53-45-18-7-9-20-47(45)54(48-21-10-8-19-46(48)53)37-27-30-44-43-17-11-12-22-51(43)56-52(44)33-37/h3-33H,1-2H3.
What are the key properties of N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine?
N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 715.90 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 168837143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).