N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile

C157H116N4O3Si — CID 161409372

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
SMILESCOc1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C55H39NO.C52H43NOSi.C50H34N2O/c1-57-43-30-27-41(28-31-43)56(51-33-26-40-25-24-39-20-13-23-47(51)52(39)40)42-29-32-46-50(34-42)44-21-11-12-22-45(44)54-49(37-16-7-3-8-17-37)35-48(36-14-5-2-6-15-36)53(55(46)54)38-18-9-4-10-19-38;1-54-42-29-24-39(25-30-42)53(40-26-31-43(32-27-40)55(2,3)4)41-28-33-46-49(34-41)44-22-14-15-23-45(44)51-48(37-18-10-6-11-19-37)35-47(36-16-8-5-9-17-36)50(52(46)51)38-20-12-7-13-21-38;1-53-41-28-25-39(26-29-41)52(38-23-21-34(33-51)22-24-38)40-27-30-44-47(31-40)42-19-11-12-20-43(42)49-46(36-15-7-3-8-16-36)32-45(35-13-5-2-6-14-35)48(50(44)49)37-17-9-4-10-18-37/h2-23,26-35H,24-25H2,1H3;5-35H,1-4H3;2-32H,1H3
InChIKeyVVGNLQJDDAVNEE-UHFFFAOYSA-N
MW2134.77 g/mol
LogP42.55
Rot. Bonds22

About N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile

N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile (PubChem CID 161409372) has the molecular formula C157H116N4O3Si and a molecular weight of 2134.77 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
PubChem CID161409372
Molecular FormulaC157H116N4O3Si
Molecular Weight2134.77 g/mol
Exact Mass2132.88
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
SMILESCOc1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C55H39NO.C52H43NOSi.C50H34N2O/c1-57-43-30-27-41(28-31-43)56(51-33-26-40-25-24-39-20-13-23-47(51)52(39)40)42-29-32-46-50(34-42)44-21-11-12-22-45(44)54-49(37-16-7-3-8-17-37)35-48(36-14-5-2-6-15-36)53(55(46)54)38-18-9-4-10-19-38;1-54-42-29-24-39(25-30-42)53(40-26-31-43(32-27-40)55(2,3)4)41-28-33-46-49(34-41)44-22-14-15-23-45(44)51-48(37-18-10-6-11-19-37)35-47(36-16-8-5-9-17-36)50(52(46)51)38-20-12-7-13-21-38;1-53-41-28-25-39(26-29-41)52(38-23-21-34(33-51)22-24-38)40-27-30-44-47(31-40)42-19-11-12-20-43(42)49-46(36-15-7-3-8-16-36)32-45(35-13-5-2-6-14-35)48(50(44)49)37-17-9-4-10-18-37/h2-23,26-35H,24-25H2,1H3;5-35H,1-4H3;2-32H,1H3
InChIKeyVVGNLQJDDAVNEE-UHFFFAOYSA-N
XLogP42.55
TPSA61.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.77
LogP ≤ 542.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile 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-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308597
N-(4-methoxyphenyl)-5,6,8-triphenyl-N-[4-(trifluoromethyl)phenyl]triphenylen-2-amine
CID 59307848
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzenethiol
CID 89072605
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 89083812
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
3,15-bis(4-methoxyphenyl)-20-trimethylsilyl-N,N-bis(4-trimethylsilylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
CID 142700188
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile (CID 161409372) is N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile is COc1ccc(N(c2ccc(C#N)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.COc1ccc(N(c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)c2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile?
The InChIKey is VVGNLQJDDAVNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO.C52H43NOSi.C50H34N2O/c1-57-43-30-27-41(28-31-43)56(51-33-26-40-25-24-39-20-13-23-47(51)52(39)40)42-29-32-46-50(34-42)44-21-11-12-22-45(44)54-49(37-16-7-3-8-17-37)35-48(36-14-5-2-6-15-36)53(55(46)54)38-18-9-4-10-19-38;1-54-42-29-24-39(25-30-42)53(40-26-31-43(32-27-40)55(2,3)4)41-28-33-46-49(34-41)44-22-14-15-23-45(44)51-48(37-18-10-6-11-19-37)35-47(36-16-8-5-9-17-36)50(52(46)51)38-20-12-7-13-21-38;1-53-41-28-25-39(26-29-41)52(38-23-21-34(33-51)22-24-38)40-27-30-44-47(31-40)42-19-11-12-20-43(42)49-46(36-15-7-3-8-16-36)32-45(35-13-5-2-6-14-35)48(50(44)49)37-17-9-4-10-18-37/h2-23,26-35H,24-25H2,1H3;5-35H,1-4H3;2-32H,1H3.
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile?
N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile has a molecular weight of 2134.77 g/mol, XLogP of 42.55, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile is sourced from PubChem (CID 161409372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).