5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine

C52H38N2 — CID 23393545

IUPAC5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
SMILESCc1ccc(N(c2cccc3ccccc23)c2c3ccccc3cc3c(N(c4cccc(C)c4)c4ccc5ccccc5c4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H38N2/c1-35-25-28-42(29-26-35)54(50-24-12-19-38-15-5-8-21-45(38)50)52-47-23-10-7-18-41(47)33-48-49(52)34-40-17-6-9-22-46(40)51(48)53(43-20-11-13-36(2)31-43)44-30-27-37-14-3-4-16-39(37)32-44/h3-34H,1-2H3
InChIKeyPMLDXWCMRKXQQU-UHFFFAOYSA-N
MW690.89 g/mol
LogP15.01
Rot. Bonds6

About 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine

5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine (PubChem CID 23393545) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine.

Molecular Properties

Compound Name5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
PubChem CID23393545
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
SMILESCc1ccc(N(c2cccc3ccccc23)c2c3ccccc3cc3c(N(c4cccc(C)c4)c4ccc5ccccc5c4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H38N2/c1-35-25-28-42(29-26-35)54(50-24-12-19-38-15-5-8-21-45(38)50)52-47-23-10-7-18-41(47)33-48-49(52)34-40-17-6-9-22-46(40)51(48)53(43-20-11-13-36(2)31-43)44-30-27-37-14-3-4-16-39(37)32-44/h3-34H,1-2H3
InChIKeyPMLDXWCMRKXQQU-UHFFFAOYSA-N
XLogP15.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 515.01
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

1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
9-N,10-N-di(anthracen-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-di(phenanthren-1-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 161261671
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
5-N,13-N-diphenyl-5-N,13-N-bis[4-(2-phenylethenyl)phenyl]pentacene-5,13-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(2-phenylphenyl)tetracene-5,11-diamine;5-N,11-N-diphenyl-5-N,11-N-bis(3-phenylphenyl)tetracene-5,11-diamine;5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine;5-N-(2-methylphenyl)-5-N,11-N,11-N-tris(3-methylphenyl)tetracene-5,11-diamine;5-N-naphthalen-1-yl-11-N-naphthalen-2-yl-5-N,11-N-diphenyltetracene-5,11-diamine;5-N,5-N,11-N,11-N-tetraphenyltetracene-5,11-diamine
CID 159106356
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine?
The IUPAC name of 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine (CID 23393545) is 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine.
What is the SMILES notation for 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine?
The canonical SMILES for 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine is Cc1ccc(N(c2cccc3ccccc23)c2c3ccccc3cc3c(N(c4cccc(C)c4)c4ccc5ccccc5c4)c4ccccc4cc23)cc1.
What is the InChIKey of 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine?
The InChIKey is PMLDXWCMRKXQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-35-25-28-42(29-26-35)54(50-24-12-19-38-15-5-8-21-45(38)50)52-47-23-10-7-18-41(47)33-48-49(52)34-40-17-6-9-22-46(40)51(48)53(43-20-11-13-36(2)31-43)44-30-27-37-14-3-4-16-39(37)32-44/h3-34H,1-2H3.
What are the key properties of 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine?
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine has a molecular weight of 690.89 g/mol, XLogP of 15.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine is sourced from PubChem (CID 23393545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).