benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten

C66H48N3W-3 — CID 164802527

IUPACbenzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten
SMILES[W].[c-]1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1.[c-]1ccc2ccccc2c1.[c-]1ccccc1
InChIInChI=1S/C50H36N3.C10H7.C6H5.W/c1-4-18-42(19-5-1)51(45-28-32-47(33-29-45)52(43-20-6-2-7-21-43)49-26-24-38-14-10-12-16-40(38)36-49)46-30-34-48(35-31-46)53(44-22-8-3-9-23-44)50-27-25-39-15-11-13-17-41(39)37-50;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;/h2-37H;1-3,5-8H;1-5H;/q3*-1;
InChIKeyRIWWOWMHVVILCZ-UHFFFAOYSA-N
MW1066.97 g/mol
LogP18.33
Rot. Bonds9

About benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten

benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten (PubChem CID 164802527) has the molecular formula C66H48N3W-3 and a molecular weight of 1066.97 g/mol. Its IUPAC name is benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten.

Molecular Properties

Compound Namebenzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten
PubChem CID164802527
Molecular FormulaC66H48N3W-3
Molecular Weight1066.97 g/mol
Exact Mass1066.34
IUPAC Namebenzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten
SMILES[W].[c-]1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1.[c-]1ccc2ccccc2c1.[c-]1ccccc1
InChIInChI=1S/C50H36N3.C10H7.C6H5.W/c1-4-18-42(19-5-1)51(45-28-32-47(33-29-45)52(43-20-6-2-7-21-43)49-26-24-38-14-10-12-16-40(38)36-49)46-30-34-48(35-31-46)53(44-22-8-3-9-23-44)50-27-25-39-15-11-13-17-41(39)37-50;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;/h2-37H;1-3,5-8H;1-5H;/q3*-1;
InChIKeyRIWWOWMHVVILCZ-UHFFFAOYSA-N
XLogP18.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.97
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten with MolForge

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Related Compounds

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N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
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copper(1+);2H-naphthalen-2-ide
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CID 121327966
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Frequently Asked Questions

What is the IUPAC name of benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten?
The IUPAC name of benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten (CID 164802527) is benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten.
What is the SMILES notation for benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten?
The canonical SMILES for benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten is [W].[c-]1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1.[c-]1ccc2ccccc2c1.[c-]1ccccc1.
What is the InChIKey of benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten?
The InChIKey is RIWWOWMHVVILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N3.C10H7.C6H5.W/c1-4-18-42(19-5-1)51(45-28-32-47(33-29-45)52(43-20-6-2-7-21-43)49-26-24-38-14-10-12-16-40(38)36-49)46-30-34-48(35-31-46)53(44-22-8-3-9-23-44)50-27-25-39-15-11-13-17-41(39)37-50;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;/h2-37H;1-3,5-8H;1-5H;/q3*-1;.
What are the key properties of benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten?
benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten has a molecular weight of 1066.97 g/mol, XLogP of 18.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2H-naphthalen-2-ide;4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-4-N-phenylbenzene-1,4-diamine;tungsten is sourced from PubChem (CID 164802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).