4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline

C52H37N — CID 23067335

IUPAC4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H37N/c1-5-17-39(18-6-1)50(40-19-7-2-8-20-40)37-38-29-31-41(32-30-38)51-46-25-13-15-27-48(46)52(49-28-16-14-26-47(49)51)42-33-35-45(36-34-42)53(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-37H
InChIKeyLGGJXRMLWAAGKW-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.39
Rot. Bonds8

About 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline

4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline (PubChem CID 23067335) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
PubChem CID23067335
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC Name4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H37N/c1-5-17-39(18-6-1)50(40-19-7-2-8-20-40)37-38-29-31-41(32-30-38)51-46-25-13-15-27-48(46)52(49-28-16-14-26-47(49)51)42-33-35-45(36-34-42)53(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-37H
InChIKeyLGGJXRMLWAAGKW-UHFFFAOYSA-N
XLogP14.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
4-N,4-N-bis[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 22253825
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 158274558
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[2-phenyl-2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]phenyl]benzene-1,4-diamine
CID 158863365
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
4-[2-[4-[10-[4-[1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 72511527
9,10-dinaphthalen-2-ylanthracene;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158619878

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline (CID 23067335) is 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline?
The InChIKey is LGGJXRMLWAAGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-5-17-39(18-6-1)50(40-19-7-2-8-20-40)37-38-29-31-41(32-30-38)51-46-25-13-15-27-48(46)52(49-28-16-14-26-47(49)51)42-33-35-45(36-34-42)53(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-37H.
What are the key properties of 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline?
4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline has a molecular weight of 675.88 g/mol, XLogP of 14.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 23067335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).