N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine

C70H46N2O — CID 118012585

IUPACN-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc7ccc4c5c76)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H46N2O/c1-5-15-47(16-6-1)49-25-34-56(35-26-49)71(66-43-33-54(48-17-7-2-8-18-48)45-63(66)50-19-9-3-10-20-50)57-36-27-51(28-37-57)59-39-29-52-31-41-62-65(42-32-53-30-40-61(59)69(52)70(53)62)72(55-21-11-4-12-22-55)58-38-44-68-64(46-58)60-23-13-14-24-67(60)73-68/h1-46H
InChIKeyNZNFWWCJLKEFEM-UHFFFAOYSA-N
MW931.15 g/mol
LogP20.09
Rot. Bonds10

About N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine

N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine (PubChem CID 118012585) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
PubChem CID118012585
Molecular FormulaC70H46N2O
Molecular Weight931.15 g/mol
Exact Mass930.36
IUPAC NameN-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc7ccc4c5c76)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H46N2O/c1-5-15-47(16-6-1)49-25-34-56(35-26-49)71(66-43-33-54(48-17-7-2-8-18-48)45-63(66)50-19-9-3-10-20-50)57-36-27-51(28-37-57)59-39-29-52-31-41-62-65(42-32-53-30-40-61(59)69(52)70(53)62)72(55-21-11-4-12-22-55)58-38-44-68-64(46-58)60-23-13-14-24-67(60)73-68/h1-46H
InChIKeyNZNFWWCJLKEFEM-UHFFFAOYSA-N
XLogP20.09
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N-(4-phenylphenyl)-N-[2-phenyl-4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 155122863
N-naphthalen-2-yl-6-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)phenyl]-N-phenylpyren-1-amine
CID 155008986
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-(2,4-diphenylphenyl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779551
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine (CID 118012585) is N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6c(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)ccc7ccc4c5c76)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine?
The InChIKey is NZNFWWCJLKEFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-5-15-47(16-6-1)49-25-34-56(35-26-49)71(66-43-33-54(48-17-7-2-8-18-48)45-63(66)50-19-9-3-10-20-50)57-36-27-51(28-37-57)59-39-29-52-31-41-62-65(42-32-53-30-40-61(59)69(52)70(53)62)72(55-21-11-4-12-22-55)58-38-44-68-64(46-58)60-23-13-14-24-67(60)73-68/h1-46H.
What are the key properties of N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine?
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine has a molecular weight of 931.15 g/mol, XLogP of 20.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 118012585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).