N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine

C58H38N2O — CID 118012296

IUPACN-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)47-21-10-12-24-52(47)59(43-17-6-2-7-18-43)45-33-27-40(28-34-45)46-35-29-41-31-37-51-53(38-32-42-30-36-49(46)56(41)57(42)51)60(44-19-8-3-9-20-44)54-25-14-23-50-48-22-11-13-26-55(48)61-58(50)54/h1-38H
InChIKeyLJQFBEAYYMLHBI-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.76
Rot. Bonds8

About N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine

N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine (PubChem CID 118012296) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
PubChem CID118012296
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)47-21-10-12-24-52(47)59(43-17-6-2-7-18-43)45-33-27-40(28-34-45)46-35-29-41-31-37-51-53(38-32-42-30-36-49(46)56(41)57(42)51)60(44-19-8-3-9-20-44)54-25-14-23-50-48-22-11-13-26-55(48)61-58(50)54/h1-38H
InChIKeyLJQFBEAYYMLHBI-UHFFFAOYSA-N
XLogP16.76
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.76
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

N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
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-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122592278
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(3-phenyl-4-pyren-1-ylphenyl)phenyl]aniline
CID 155121240
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
6-N-dibenzofuran-4-yl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N-dibenzofuran-4-yl-6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-6-N-phenyl-1-N-(2-phenylphenyl)pyrene-1,6-diamine;6-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenyl-1-N-(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158167430
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine (CID 118012296) is N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)cc1.
What is the InChIKey of N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
The InChIKey is LJQFBEAYYMLHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)47-21-10-12-24-52(47)59(43-17-6-2-7-18-43)45-33-27-40(28-34-45)46-35-29-41-31-37-51-53(38-32-42-30-36-49(46)56(41)57(42)51)60(44-19-8-3-9-20-44)54-25-14-23-50-48-22-11-13-26-55(48)61-58(50)54/h1-38H.
What are the key properties of N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine?
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine has a molecular weight of 778.96 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine is sourced from PubChem (CID 118012296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).