4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde

C82H67N4OP — CID 159908883

IUPAC4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N2.C31H24N2O.C19H17P/c1-2-26-18-20-30(21-19-26)34(29-16-10-5-11-17-29)32-24-22-31(23-25-32)33(27-12-6-3-7-13-27)28-14-8-4-9-15-28;34-24-25-16-18-29(19-17-25)33(28-14-8-3-9-15-28)31-22-20-30(21-23-31)32(26-10-4-1-5-11-26)27-12-6-2-7-13-27;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-25H,1H2;1-24H;2-16H,1H2
InChIKeyNWXRHERYIKKLRE-UHFFFAOYSA-N
MW1155.44 g/mol
LogP21.12
Rot. Bonds17

About 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde

4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde (PubChem CID 159908883) has the molecular formula C82H67N4OP and a molecular weight of 1155.44 g/mol. Its IUPAC name is 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde.

Molecular Properties

Compound Name4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde
PubChem CID159908883
Molecular FormulaC82H67N4OP
Molecular Weight1155.44 g/mol
Exact Mass1154.51
IUPAC Name4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26N2.C31H24N2O.C19H17P/c1-2-26-18-20-30(21-19-26)34(29-16-10-5-11-17-29)32-24-22-31(23-25-32)33(27-12-6-3-7-13-27)28-14-8-4-9-15-28;34-24-25-16-18-29(19-17-25)33(28-14-8-3-9-15-28)31-22-20-30(21-23-31)32(26-10-4-1-5-11-26)27-12-6-2-7-13-27;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-25H,1H2;1-24H;2-16H,1H2
InChIKeyNWXRHERYIKKLRE-UHFFFAOYSA-N
XLogP21.12
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.44
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde?
The IUPAC name of 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde (CID 159908883) is 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde.
What is the SMILES notation for 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde?
The canonical SMILES for 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde is C=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde?
The InChIKey is NWXRHERYIKKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2.C31H24N2O.C19H17P/c1-2-26-18-20-30(21-19-26)34(29-16-10-5-11-17-29)32-24-22-31(23-25-32)33(27-12-6-3-7-13-27)28-14-8-4-9-15-28;34-24-25-16-18-29(19-17-25)33(28-14-8-3-9-15-28)31-22-20-30(21-23-31)32(26-10-4-1-5-11-26)27-12-6-2-7-13-27;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-25H,1H2;1-24H;2-16H,1H2.
What are the key properties of 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde?
4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde has a molecular weight of 1155.44 g/mol, XLogP of 21.12, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde is sourced from PubChem (CID 159908883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).