9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine

C48H34N4 — CID 123403469

IUPAC9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H34N4/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-34H
InChIKeyMDSDNMZCOOTVKS-UHFFFAOYSA-N
MW666.83 g/mol
LogP13.06
Rot. Bonds8

About 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine

9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine (PubChem CID 123403469) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
PubChem CID123403469
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
SMILESc1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H34N4/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-34H
InChIKeyMDSDNMZCOOTVKS-UHFFFAOYSA-N
XLogP13.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine;2,6-diphenyl-9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine;10-N-(4-isoquinolin-1-ylphenyl)-9-N,9-N,10-N-tris(4-naphthalen-1-ylphenyl)anthracene-9,10-diamine
CID 157289355
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine (CID 123403469) is 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine is c1ccc(-c2ccc(N(c3cccnc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine?
The InChIKey is MDSDNMZCOOTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)51(41-17-11-31-49-33-41)47-43-19-7-9-21-45(43)48(46-22-10-8-20-44(46)47)52(42-18-12-32-50-34-42)40-29-25-38(26-30-40)36-15-5-2-6-16-36/h1-34H.
What are the key properties of 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine?
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine has a molecular weight of 666.83 g/mol, XLogP of 13.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine is sourced from PubChem (CID 123403469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).