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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

C154H120I2N6-2 — CID 159750359

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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
SMILESCCC[I-]c1ccc(N(c2ccc([I-]CCC)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C60H44N2.C50H36N2.C44H40I2N2/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;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;1-3-31-45-33-23-27-37(28-24-33)48(38-29-25-34(26-30-38)46-32-4-2)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)47(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-30H,3-4,31-32H2,1-2H3/q;;-2
InChIKeyLXMDWGVEGROOTF-UHFFFAOYSA-N
MW2308.50 g/mol
LogP37.50
Rot. Bonds31

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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline

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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 159750359) has the molecular formula C154H120I2N6-2 and a molecular weight of 2308.50 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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.

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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
PubChem CID159750359
Molecular FormulaC154H120I2N6-2
Molecular Weight2308.50 g/mol
Exact Mass2306.77
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
SMILESCCC[I-]c1ccc(N(c2ccc([I-]CCC)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C60H44N2.C50H36N2.C44H40I2N2/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;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;1-3-31-45-33-23-27-37(28-24-33)48(38-29-25-34(26-30-38)46-32-4-2)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)47(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-30H,3-4,31-32H2,1-2H3/q;;-2
InChIKeyLXMDWGVEGROOTF-UHFFFAOYSA-N
XLogP37.50
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002308.50
LogP ≤ 537.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline 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
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
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
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
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 158284393
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299

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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline (CID 159750359) 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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline.
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is CCC[I-]c1ccc(N(c2ccc([I-]CCC)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?
The InChIKey is LXMDWGVEGROOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2.C50H36N2.C44H40I2N2/c1-5-13-45(14-6-1)48-21-23-49(24-22-48)52-29-39-56(40-30-52)61(55-19-11-4-12-20-55)57-41-31-53(32-42-57)54-33-43-60(44-34-54)62(58-35-25-50(26-36-58)46-15-7-2-8-16-46)59-37-27-51(28-38-59)47-17-9-3-10-18-47;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;1-3-31-45-33-23-27-37(28-24-33)48(38-29-25-34(26-30-38)46-32-4-2)44-41-21-13-11-19-39(41)43(40-20-12-14-22-42(40)44)47(35-15-7-5-8-16-35)36-17-9-6-10-18-36/h1-44H;1-36H;5-30H,3-4,31-32H2,1-2H3/q;;-2.
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline?
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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 2308.50 g/mol, XLogP of 37.50, 31 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-propyliodanuidylphenyl)anthracene-9,10-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 159750359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).