1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

C62H48N2 — CID 59745960

IUPAC1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1
InChIInChI=1S/C62H48N2/c1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52/h1-48H/b28-24+,29-25+,30-26+,31-27+
InChIKeyQWXVZLLPDNSVNQ-HLSGMNIQSA-N
MW821.08 g/mol
LogP17.31
Rot. Bonds14

About 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (PubChem CID 59745960) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
PubChem CID59745960
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC Name1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
SMILESC(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1
InChIInChI=1S/C62H48N2/c1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52/h1-48H/b28-24+,29-25+,30-26+,31-27+
InChIKeyQWXVZLLPDNSVNQ-HLSGMNIQSA-N
XLogP17.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174
4-[(E)-2-(3-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650304
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine (CID 59745960) is 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is C(=C/c1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2cccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccccc4)cc3)c2)cc1)\c1ccccc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
The InChIKey is QWXVZLLPDNSVNQ-HLSGMNIQSA-N. The full InChI is InChI=1S/C62H48N2/c1-5-14-49(15-6-1)24-28-53-32-40-57(41-33-53)63(58-42-34-54(35-43-58)29-25-50-16-7-2-8-17-50)61-22-13-23-62(48-61)64(59-44-36-55(37-45-59)30-26-51-18-9-3-10-19-51)60-46-38-56(39-47-60)31-27-52-20-11-4-12-21-52/h1-48H/b28-24+,29-25+,30-26+,31-27+.
What are the key properties of 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine has a molecular weight of 821.08 g/mol, XLogP of 17.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 59745960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).