4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline

C68H52N2O2 — CID 88888023

IUPAC4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C68H52N2O2/c1-71-61-41-33-53(34-42-61)67-63-45-31-51(25-23-49-27-37-59(38-28-49)69(55-15-7-3-8-16-55)56-17-9-4-10-18-56)47-65(63)66-48-52(32-46-64(66)68(67)54-35-43-62(72-2)44-36-54)26-24-50-29-39-60(40-30-50)70(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-48H,1-2H3/b25-23+,26-24+
InChIKeyWORFLVFFYSEHAS-OGGGYYITSA-N
MW929.18 g/mol
LogP18.62
Rot. Bonds14

About 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline (PubChem CID 88888023) has the molecular formula C68H52N2O2 and a molecular weight of 929.18 g/mol. Its IUPAC name is 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
PubChem CID88888023
Molecular FormulaC68H52N2O2
Molecular Weight929.18 g/mol
Exact Mass928.40
IUPAC Name4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C68H52N2O2/c1-71-61-41-33-53(34-42-61)67-63-45-31-51(25-23-49-27-37-59(38-28-49)69(55-15-7-3-8-16-55)56-17-9-4-10-18-56)47-65(63)66-48-52(32-46-64(66)68(67)54-35-43-62(72-2)44-36-54)26-24-50-29-39-60(40-30-50)70(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-48H,1-2H3/b25-23+,26-24+
InChIKeyWORFLVFFYSEHAS-OGGGYYITSA-N
XLogP18.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.18
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
4-[(E)-2-[6-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-9,10-diphenylphenanthren-3-yl]ethenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 88888080
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-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[2-[2,5-dichloro-4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-methoxyphenyl)-N-phenylaniline
CID 59055952
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline (CID 88888023) is 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline is COc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3c3cc(/C=C/c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc23)cc1.
What is the InChIKey of 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline?
The InChIKey is WORFLVFFYSEHAS-OGGGYYITSA-N. The full InChI is InChI=1S/C68H52N2O2/c1-71-61-41-33-53(34-42-61)67-63-45-31-51(25-23-49-27-37-59(38-28-49)69(55-15-7-3-8-16-55)56-17-9-4-10-18-56)47-65(63)66-48-52(32-46-64(66)68(67)54-35-43-62(72-2)44-36-54)26-24-50-29-39-60(40-30-50)70(57-19-11-5-12-20-57)58-21-13-6-14-22-58/h3-48H,1-2H3/b25-23+,26-24+.
What are the key properties of 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline has a molecular weight of 929.18 g/mol, XLogP of 18.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[9,10-bis(4-methoxyphenyl)-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 88888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).