N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine

C55H37NO2 — CID 163956670

IUPACN-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(C(Cc2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)Cc2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H37NO2/c1-3-13-35(14-4-1)40(34-39-15-11-20-45-43-18-7-9-23-50(43)57-54(39)45)33-38-26-25-36-28-31-47-48(32-29-37-27-30-42(38)52(36)53(37)47)56(41-16-5-2-6-17-41)49-22-12-21-46-44-19-8-10-24-51(44)58-55(46)49/h1-32,40H,33-34H2
InChIKeySDYORIIBUGXCHY-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.42
Rot. Bonds8

About N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine

N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 163956670) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
PubChem CID163956670
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(C(Cc2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)Cc2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H37NO2/c1-3-13-35(14-4-1)40(34-39-15-11-20-45-43-18-7-9-23-50(43)57-54(39)45)33-38-26-25-36-28-31-47-48(32-29-37-27-30-42(38)52(36)53(37)47)56(41-16-5-2-6-17-41)49-22-12-21-46-44-19-8-10-24-51(44)58-55(46)49/h1-32,40H,33-34H2
InChIKeySDYORIIBUGXCHY-UHFFFAOYSA-N
XLogP15.42
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.42
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-dibenzofuran-4-yl-1-N-[4-[4-[4-[[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-(3-phenylbenzene-2-id-1-yl)amino]phenyl]butyl]phenyl]-6-N-phenyl-6-N-(3-phenylbenzene-2-id-1-yl)pyrene-1,6-diamine;bis(uranium(2+))
CID 163871783
N-[6-[(2R)-3-dibenzothiophen-4-yl-2-phenylpropyl]pyren-1-yl]-N-phenyldibenzothiophen-4-amine
CID 147071506
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 146822139
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297607
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
1-N,6-N-di(dibenzofuran-4-yl)-6-N-(6-methylcyclohexa-2,4-dien-1-yl)-1-N-phenylpyrene-1,6-diamine
CID 131993920
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine (CID 163956670) is N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine is c1ccc(C(Cc2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)Cc2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The InChIKey is SDYORIIBUGXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-3-13-35(14-4-1)40(34-39-15-11-20-45-43-18-7-9-23-50(43)57-54(39)45)33-38-26-25-36-28-31-47-48(32-29-37-27-30-42(38)52(36)53(37)47)56(41-16-5-2-6-17-41)49-22-12-21-46-44-19-8-10-24-51(44)58-55(46)49/h1-32,40H,33-34H2.
What are the key properties of N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine?
N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 743.91 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 163956670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).