N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde

C111H86N6O — CID 160992950

IUPACN,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H30N2.C37H28N2O.C36H28N2/c1-2-30-18-24-36(25-19-30)40(35-16-10-5-11-17-35)38-28-22-32(23-29-38)31-20-26-37(27-21-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;40-28-29-16-22-35(23-17-29)39(34-14-8-3-9-15-34)37-26-20-31(21-27-37)30-18-24-36(25-19-30)38(32-10-4-1-5-11-32)33-12-6-2-7-13-33;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-29H,1H2;1-28H;1-28H
InChIKeyTUWNOXCRCCSPAY-UHFFFAOYSA-N
MW1519.95 g/mol
LogP31.34
Rot. Bonds23

About N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde

N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde (PubChem CID 160992950) has the molecular formula C111H86N6O and a molecular weight of 1519.95 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
PubChem CID160992950
Molecular FormulaC111H86N6O
Molecular Weight1519.95 g/mol
Exact Mass1518.69
IUPAC NameN,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H30N2.C37H28N2O.C36H28N2/c1-2-30-18-24-36(25-19-30)40(35-16-10-5-11-17-35)38-28-22-32(23-29-38)31-20-26-37(27-21-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;40-28-29-16-22-35(23-17-29)39(34-14-8-3-9-15-34)37-26-20-31(21-27-37)30-18-24-36(25-19-30)38(32-10-4-1-5-11-32)33-12-6-2-7-13-33;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-29H,1H2;1-28H;1-28H
InChIKeyTUWNOXCRCCSPAY-UHFFFAOYSA-N
XLogP31.34
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001519.95
LogP ≤ 531.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
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
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde?
The IUPAC name of N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde (CID 160992950) is N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde.
What is the SMILES notation for N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde?
The canonical SMILES for N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde is C=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde?
The InChIKey is TUWNOXCRCCSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2.C37H28N2O.C36H28N2/c1-2-30-18-24-36(25-19-30)40(35-16-10-5-11-17-35)38-28-22-32(23-29-38)31-20-26-37(27-21-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;40-28-29-16-22-35(23-17-29)39(34-14-8-3-9-15-34)37-26-20-31(21-27-37)30-18-24-36(25-19-30)38(32-10-4-1-5-11-32)33-12-6-2-7-13-33;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-29H,1H2;1-28H;1-28H.
What are the key properties of N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde?
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde has a molecular weight of 1519.95 g/mol, XLogP of 31.34, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde is sourced from PubChem (CID 160992950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).