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+))

C111H75N3O2U2 — CID 163871783

IUPAC1-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+))
SMILES[U+2].[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(CCCCc3ccc(N(c4ccc5ccc6c(N(c7[c-]c(-c8[c-]cccc8)ccc7)c7ccccc7)ccc7ccc4c5c76)c4cccc5c4oc4ccccc45)cc3)cc2)c2ccc3ccc4c(CC(Cc5cccc6c5oc5ccccc56)c5ccccc5)ccc5ccc2c3c54)ccc1
InChIInChI=1S/C111H75N3O2.2U/c1-5-25-75(26-6-1)82-31-19-36-90(71-82)112(87-34-11-4-12-35-87)100-66-56-80-54-65-99-102(68-57-81-53-64-98(100)108(80)109(81)99)114(103-42-22-41-96-94-39-16-18-44-105(94)116-111(96)103)89-60-47-74(48-61-89)24-14-13-23-73-45-58-88(59-46-73)113(91-37-20-32-83(72-91)76-27-7-2-8-28-76)101-67-55-79-51-62-92-84(50-49-78-52-63-97(101)107(79)106(78)92)69-86(77-29-9-3-10-30-77)70-85-33-21-40-95-93-38-15-17-43-104(93)115-110(85)95;;/h1-12,15-22,25,27,29-68,86H,13-14,23-24,69-70H2;;/q-4;2*+2
InChIKeyFALHYRSAZKSCQR-UHFFFAOYSA-N
MW1958.90 g/mol
LogP30.36
Rot. Bonds21

About 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+))

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+)) (PubChem CID 163871783) has the molecular formula C111H75N3O2U2 and a molecular weight of 1958.90 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Name1-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+))
PubChem CID163871783
Molecular FormulaC111H75N3O2U2
Molecular Weight1958.90 g/mol
Exact Mass1957.69
IUPAC Name1-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+))
SMILES[U+2].[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(CCCCc3ccc(N(c4ccc5ccc6c(N(c7[c-]c(-c8[c-]cccc8)ccc7)c7ccccc7)ccc7ccc4c5c76)c4cccc5c4oc4ccccc45)cc3)cc2)c2ccc3ccc4c(CC(Cc5cccc6c5oc5ccccc56)c5ccccc5)ccc5ccc2c3c54)ccc1
InChIInChI=1S/C111H75N3O2.2U/c1-5-25-75(26-6-1)82-31-19-36-90(71-82)112(87-34-11-4-12-35-87)100-66-56-80-54-65-99-102(68-57-81-53-64-98(100)108(80)109(81)99)114(103-42-22-41-96-94-39-16-18-44-105(94)116-111(96)103)89-60-47-74(48-61-89)24-14-13-23-73-45-58-88(59-46-73)113(91-37-20-32-83(72-91)76-27-7-2-8-28-76)101-67-55-79-51-62-92-84(50-49-78-52-63-97(101)107(79)106(78)92)69-86(77-29-9-3-10-30-77)70-85-33-21-40-95-93-38-15-17-43-104(93)115-110(85)95;;/h1-12,15-22,25,27,29-68,86H,13-14,23-24,69-70H2;;/q-4;2*+2
InChIKeyFALHYRSAZKSCQR-UHFFFAOYSA-N
XLogP30.36
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001958.90
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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+)) with MolForge

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Related Compounds

N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 163956670
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
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-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
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-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
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
CID 144918654

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is [U+2].[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(CCCCc3ccc(N(c4ccc5ccc6c(N(c7[c-]c(-c8[c-]cccc8)ccc7)c7ccccc7)ccc7ccc4c5c76)c4cccc5c4oc4ccccc45)cc3)cc2)c2ccc3ccc4c(CC(Cc5cccc6c5oc5ccccc56)c5ccccc5)ccc5ccc2c3c54)ccc1.
What is the InChIKey of 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+))?
The InChIKey is FALHYRSAZKSCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H75N3O2.2U/c1-5-25-75(26-6-1)82-31-19-36-90(71-82)112(87-34-11-4-12-35-87)100-66-56-80-54-65-99-102(68-57-81-53-64-98(100)108(80)109(81)99)114(103-42-22-41-96-94-39-16-18-44-105(94)116-111(96)103)89-60-47-74(48-61-89)24-14-13-23-73-45-58-88(59-46-73)113(91-37-20-32-83(72-91)76-27-7-2-8-28-76)101-67-55-79-51-62-92-84(50-49-78-52-63-97(101)107(79)106(78)92)69-86(77-29-9-3-10-30-77)70-85-33-21-40-95-93-38-15-17-43-104(93)115-110(85)95;;/h1-12,15-22,25,27,29-68,86H,13-14,23-24,69-70H2;;/q-4;2*+2.
What are the key properties of 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+))?
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+)) has a molecular weight of 1958.90 g/mol, XLogP of 30.36, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 163871783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).