N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine

C54H39N3 — CID 140908506

IUPACN,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
SMILESCc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccc6ccccc6c5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C54H39N3/c1-36-34-55-52(32-50(36)43-26-24-38-12-3-5-15-41(38)28-43)45-18-9-20-47(30-45)57(54-23-11-17-40-14-7-8-22-49(40)54)48-21-10-19-46(31-48)53-33-51(37(2)35-56-53)44-27-25-39-13-4-6-16-42(39)29-44/h3-35H,1-2H3
InChIKeyMDLMLKGDBUEXDE-UHFFFAOYSA-N
MW729.93 g/mol
LogP14.69
Rot. Bonds7

About N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine

N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine (PubChem CID 140908506) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
PubChem CID140908506
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC NameN,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
SMILESCc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccc6ccccc6c5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C54H39N3/c1-36-34-55-52(32-50(36)43-26-24-38-12-3-5-15-41(38)28-43)45-18-9-20-47(30-45)57(54-23-11-17-40-14-7-8-22-49(40)54)48-21-10-19-46(31-48)53-33-51(37(2)35-56-53)44-27-25-39-13-4-6-16-42(39)29-44/h3-35H,1-2H3
InChIKeyMDLMLKGDBUEXDE-UHFFFAOYSA-N
XLogP14.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
benzonitrile;dichloroplatinum;bis(2,4-dimethyl-N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]-6-phenylaniline)
CID 159870963
2-(3-bromophenyl)-5-methyl-4-phenylpyridine;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
CID 160541704
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
CID 140908668
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
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
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
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-naphthalen-1-yl-N-[3-(3-triphenylen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 153357571

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine?
The IUPAC name of N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine (CID 140908506) is N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine is Cc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccc6ccccc6c5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc2ccccc2c1.
What is the InChIKey of N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine?
The InChIKey is MDLMLKGDBUEXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-36-34-55-52(32-50(36)43-26-24-38-12-3-5-15-41(38)28-43)45-18-9-20-47(30-45)57(54-23-11-17-40-14-7-8-22-49(40)54)48-21-10-19-46(31-48)53-33-51(37(2)35-56-53)44-27-25-39-13-4-6-16-42(39)29-44/h3-35H,1-2H3.
What are the key properties of N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine?
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine has a molecular weight of 729.93 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 140908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).