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

C108H76N2 — CID 158274558

IUPAC9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.C(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H38N2.C54H38/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H;1-38H/b18-17+;
InChIKeyGJLIBAYCRQQPEC-ZAGWXBKKSA-N
MW1401.81 g/mol
LogP29.91
Rot. Bonds16

About 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

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 (PubChem CID 158274558) has the molecular formula C108H76N2 and a molecular weight of 1401.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID158274558
Molecular FormulaC108H76N2
Molecular Weight1401.81 g/mol
Exact Mass1400.60
IUPAC Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.C(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C54H38N2.C54H38/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H;1-38H/b18-17+;
InChIKeyGJLIBAYCRQQPEC-ZAGWXBKKSA-N
XLogP29.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.81
LogP ≤ 529.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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

N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;9-[4-(2,2-diphenylethenyl)phenyl]-10-[4-(2,2-diphenylethyl)phenyl]anthracene
CID 162190398
4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 23067335
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
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,N-bis(4-phenylphenyl)-6-[(E)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]naphthalen-2-amine;6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine;N,N-diphenyl-6-[(E)-1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-2-amine
CID 157421036
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;3-methyl-N-[4-[2-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[phenyl-[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]benzene-1,4-diamine
CID 157134032
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.C(=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1)\c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is GJLIBAYCRQQPEC-ZAGWXBKKSA-N. The full InChI is InChI=1S/C54H38N2.C54H38/c1-5-13-45-35-51(31-23-41(45)9-1)55(52-32-24-42-10-2-6-14-46(42)36-52)49-27-19-39(20-28-49)17-18-40-21-29-50(30-22-40)56(53-33-25-43-11-3-7-15-47(43)37-53)54-34-26-44-12-4-8-16-48(44)38-54;1-5-17-41(18-6-1)51(42-19-7-2-8-20-42)37-39-29-33-45(34-30-39)53-47-25-13-15-27-49(47)54(50-28-16-14-26-48(50)53)46-35-31-40(32-36-46)38-52(43-21-9-3-10-22-43)44-23-11-4-12-24-44/h1-38H;1-38H/b18-17+;.
What are the key properties of 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?
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 has a molecular weight of 1401.81 g/mol, XLogP of 29.91, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158274558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).