N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine

C110H76N4 — CID 162182547

IUPACN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc7ccccc7cc56)cc4)cc3)cc2)c2cccc3cc4ccccc4cc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C58H40N2.C52H36N2/c1-3-19-51(20-4-1)59(57-23-11-17-49-37-45-13-7-9-15-47(45)39-55(49)57)53-33-29-43(30-34-53)41-25-27-42(28-26-41)44-31-35-54(36-32-44)60(52-21-5-2-6-22-52)58-24-12-18-50-38-46-14-8-10-16-48(46)40-56(50)58;1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52/h1-40H;1-36H
InChIKeyZPFPBFSOUIERPP-UHFFFAOYSA-N
MW1453.85 g/mol
LogP31.48
Rot. Bonds15

About N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine

N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine (PubChem CID 162182547) has the molecular formula C110H76N4 and a molecular weight of 1453.85 g/mol. Its IUPAC name is N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
PubChem CID162182547
Molecular FormulaC110H76N4
Molecular Weight1453.85 g/mol
Exact Mass1452.61
IUPAC NameN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc7ccccc7cc56)cc4)cc3)cc2)c2cccc3cc4ccccc4cc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C58H40N2.C52H36N2/c1-3-19-51(20-4-1)59(57-23-11-17-49-37-45-13-7-9-15-47(45)39-55(49)57)53-33-29-43(30-34-53)41-25-27-42(28-26-41)44-31-35-54(36-32-44)60(52-21-5-2-6-22-52)58-24-12-18-50-38-46-14-8-10-16-48(46)40-56(50)58;1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52/h1-40H;1-36H
InChIKeyZPFPBFSOUIERPP-UHFFFAOYSA-N
XLogP31.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.85
LogP ≤ 531.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine with MolForge

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Related Compounds

N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 159472153
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,2-N-di(anthracen-1-yl)-1-N,2-N-diphenyl-3-(4-phenylphenyl)benzene-1,2-diamine
CID 18680487
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine?
The IUPAC name of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine (CID 162182547) is N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine.
What is the SMILES notation for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine?
The canonical SMILES for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6cc7ccccc7cc56)cc4)cc3)cc2)c2cccc3cc4ccccc4cc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine?
The InChIKey is ZPFPBFSOUIERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C52H36N2/c1-3-19-51(20-4-1)59(57-23-11-17-49-37-45-13-7-9-15-47(45)39-55(49)57)53-33-29-43(30-34-53)41-25-27-42(28-26-41)44-31-35-54(36-32-44)60(52-21-5-2-6-22-52)58-24-12-18-50-38-46-14-8-10-16-48(46)40-56(50)58;1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52/h1-40H;1-36H.
What are the key properties of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine?
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine has a molecular weight of 1453.85 g/mol, XLogP of 31.48, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine is sourced from PubChem (CID 162182547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).