4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline

C156H120N6 — CID 157170730

IUPAC4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H44N2.C50H36N2.C44H40N2/c1-3-13-45(14-4-1)46-25-35-54(36-26-46)63(53-19-5-2-6-20-53)55-37-27-47(28-38-55)48-29-39-56(40-30-48)64(57-41-31-51(32-42-57)61-23-11-17-49-15-7-9-21-59(49)61)58-43-33-52(34-44-58)62-24-12-18-50-16-8-10-22-60(50)62;1-3-11-37(12-4-1)41-19-25-45(26-20-41)51(46-27-21-42(22-28-46)38-13-5-2-6-14-38)47-31-33-48(34-32-47)52(49-29-23-39-15-7-9-17-43(39)35-49)50-30-24-40-16-8-10-18-44(40)36-50;1-31(2)33-23-27-37(28-24-33)46(38-29-25-34(26-30-38)32(3)4)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)45(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-32H,1-4H3
InChIKeyANKWZASXKUWSNI-UHFFFAOYSA-N
MW2078.72 g/mol
LogP45.05
Rot. Bonds26

About 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline

4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 157170730) has the molecular formula C156H120N6 and a molecular weight of 2078.72 g/mol. Its IUPAC name is 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound Name4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
PubChem CID157170730
Molecular FormulaC156H120N6
Molecular Weight2078.72 g/mol
Exact Mass2076.96
IUPAC Name4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H44N2.C50H36N2.C44H40N2/c1-3-13-45(14-4-1)46-25-35-54(36-26-46)63(53-19-5-2-6-20-53)55-37-27-47(28-38-55)48-29-39-56(40-30-48)64(57-41-31-51(32-42-57)61-23-11-17-49-15-7-9-21-59(49)61)58-43-33-52(34-44-58)62-24-12-18-50-16-8-10-22-60(50)62;1-3-11-37(12-4-1)41-19-25-45(26-20-41)51(46-27-21-42(22-28-46)38-13-5-2-6-14-38)47-31-33-48(34-32-47)52(49-29-23-39-15-7-9-17-43(39)35-49)50-30-24-40-16-8-10-18-44(40)36-50;1-31(2)33-23-27-37(28-24-33)46(38-29-25-34(26-30-38)32(3)4)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)45(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-32H,1-4H3
InChIKeyANKWZASXKUWSNI-UHFFFAOYSA-N
XLogP45.05
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002078.72
LogP ≤ 545.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline with MolForge

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Related Compounds

4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
N,16,17-triphenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032096
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline (CID 157170730) is 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is ANKWZASXKUWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2.C50H36N2.C44H40N2/c1-3-13-45(14-4-1)46-25-35-54(36-26-46)63(53-19-5-2-6-20-53)55-37-27-47(28-38-55)48-29-39-56(40-30-48)64(57-41-31-51(32-42-57)61-23-11-17-49-15-7-9-21-59(49)61)58-43-33-52(34-44-58)62-24-12-18-50-16-8-10-22-60(50)62;1-3-11-37(12-4-1)41-19-25-45(26-20-41)51(46-27-21-42(22-28-46)38-13-5-2-6-14-38)47-31-33-48(34-32-47)52(49-29-23-39-15-7-9-17-43(39)35-49)50-30-24-40-16-8-10-18-44(40)36-50;1-31(2)33-23-27-37(28-24-33)46(38-29-25-34(26-30-38)32(3)4)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)45(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-32H,1-4H3.
What are the key properties of 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline?
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 2078.72 g/mol, XLogP of 45.05, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 157170730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).