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

C225H173N7 — CID 157134032

IUPAC9,10-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
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.Cc1cccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H47N3.C60H44N2.C54H38.C50H44N2/c1-7-19-49(20-8-1)61(51-37-41-58(42-38-51)62(52-21-9-2-10-22-52)53-23-11-3-12-24-53)50-33-31-47(32-34-50)48-35-39-57(40-36-48)64(56-29-17-6-18-30-56)60-45-43-59(44-46-60)63(54-25-13-4-14-26-54)55-27-15-5-16-28-55;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;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;1-37-9-5-13-47(33-37)51(48-14-6-10-38(2)34-48)45-29-25-43(26-30-45)23-21-41-17-19-42(20-18-41)22-24-44-27-31-46(32-28-44)52(49-15-7-11-39(3)35-49)50-16-8-12-40(4)36-50/h1-46,61H;1-44H;1-38H;5-36H,1-4H3
InChIKeyAJKILNYQDKEDEJ-UHFFFAOYSA-N
MW2974.91 g/mol
LogP62.61
Rot. Bonds42

About 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

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 (PubChem CID 157134032) has the molecular formula C225H173N7 and a molecular weight of 2974.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,10-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
PubChem CID157134032
Molecular FormulaC225H173N7
Molecular Weight2974.91 g/mol
Exact Mass2972.38
IUPAC Name9,10-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
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.Cc1cccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H47N3.C60H44N2.C54H38.C50H44N2/c1-7-19-49(20-8-1)61(51-37-41-58(42-38-51)62(52-21-9-2-10-22-52)53-23-11-3-12-24-53)50-33-31-47(32-34-50)48-35-39-57(40-36-48)64(56-29-17-6-18-30-56)60-45-43-59(44-46-60)63(54-25-13-4-14-26-54)55-27-15-5-16-28-55;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;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;1-37-9-5-13-47(33-37)51(48-14-6-10-38(2)34-48)45-29-25-43(26-30-45)23-21-41-17-19-42(20-18-41)22-24-44-27-31-46(32-28-44)52(49-15-7-11-39(3)35-49)50-16-8-12-40(4)36-50/h1-46,61H;1-44H;1-38H;5-36H,1-4H3
InChIKeyAJKILNYQDKEDEJ-UHFFFAOYSA-N
XLogP62.61
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds42
Heavy Atoms232
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002974.91
LogP ≤ 562.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 23067335
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
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
CID 159252717
CID 159252717
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
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
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
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
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
3-methyl-N-(3-methylphenyl)-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]aniline;3-methyl-N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylaniline;4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]-N,N-diphenylaniline;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158523773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.Cc1cccc(N(c2ccc(C=Cc3ccc(C=Cc4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc3)cc2)c2cccc(C)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is AJKILNYQDKEDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N3.C60H44N2.C54H38.C50H44N2/c1-7-19-49(20-8-1)61(51-37-41-58(42-38-51)62(52-21-9-2-10-22-52)53-23-11-3-12-24-53)50-33-31-47(32-34-50)48-35-39-57(40-36-48)64(56-29-17-6-18-30-56)60-45-43-59(44-46-60)63(54-25-13-4-14-26-54)55-27-15-5-16-28-55;1-5-13-45(14-6-1)49-21-33-55(34-22-49)61(56-35-23-50(24-36-56)46-15-7-2-8-16-46)59-41-29-53(30-42-59)54-31-43-60(44-32-54)62(57-37-25-51(26-38-57)47-17-9-3-10-18-47)58-39-27-52(28-40-58)48-19-11-4-12-20-48;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;1-37-9-5-13-47(33-37)51(48-14-6-10-38(2)34-48)45-29-25-43(26-30-45)23-21-41-17-19-42(20-18-41)22-24-44-27-31-46(32-28-44)52(49-15-7-11-39(3)35-49)50-16-8-12-40(4)36-50/h1-46,61H;1-44H;1-38H;5-36H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2974.91 g/mol, XLogP of 62.61, 42 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157134032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).