N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline

C204H132N4O4 — CID 158771666

IUPACN,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline
SMILESC1=CC2Oc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3c(cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3N(c3ccccc3)c3ccccc3)C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(N(c4ccccc4)c4ccccc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C62H39NO.C56H35NO.C46H31NO.C40H27NO/c1-3-13-47(14-4-1)63(48-15-5-2-6-16-48)49-28-21-38(22-29-49)54-36-46(51-31-24-44-20-18-40-10-8-12-42-26-33-53(51)61(44)59(40)42)37-56-55-35-45(27-34-57(55)64-62(54)56)50-30-23-43-19-17-39-9-7-11-41-25-32-52(50)60(43)58(39)41;1-3-13-42(14-4-1)57(43-15-5-2-6-16-43)50-33-41(45-27-22-39-20-18-35-10-8-12-37-24-29-47(45)55(39)53(35)37)32-49-48-31-40(25-30-51(48)58-56(49)50)44-26-21-38-19-17-34-9-7-11-36-23-28-46(44)54(38)52(34)36;1-3-10-36(11-4-1)47(37-12-5-2-6-13-37)38-22-16-30(17-23-38)34-20-26-43-41(28-34)42-29-35(21-27-44(42)48-43)39-24-18-33-15-14-31-8-7-9-32-19-25-40(39)46(33)45(31)32;1-3-10-30(11-4-1)41(31-12-5-2-6-13-31)32-19-23-38-36(25-32)35-24-29(18-22-37(35)42-38)33-20-16-28-15-14-26-8-7-9-27-17-21-34(33)40(28)39(26)27/h1-37,55,57H;1-33,48,51H;1-29,42,44H;1-25,35,37H
InChIKeyIPYFDLFUUCNEGH-UHFFFAOYSA-N
MW2703.32 g/mol
LogP54.67
Rot. Bonds20

About N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline

N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline (PubChem CID 158771666) has the molecular formula C204H132N4O4 and a molecular weight of 2703.32 g/mol. Its IUPAC name is N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound NameN,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline
PubChem CID158771666
Molecular FormulaC204H132N4O4
Molecular Weight2703.32 g/mol
Exact Mass2701.02
IUPAC NameN,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline
SMILESC1=CC2Oc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3c(cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3N(c3ccccc3)c3ccccc3)C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(N(c4ccccc4)c4ccccc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C62H39NO.C56H35NO.C46H31NO.C40H27NO/c1-3-13-47(14-4-1)63(48-15-5-2-6-16-48)49-28-21-38(22-29-49)54-36-46(51-31-24-44-20-18-40-10-8-12-42-26-33-53(51)61(44)59(40)42)37-56-55-35-45(27-34-57(55)64-62(54)56)50-30-23-43-19-17-39-9-7-11-41-25-32-52(50)60(43)58(39)41;1-3-13-42(14-4-1)57(43-15-5-2-6-16-43)50-33-41(45-27-22-39-20-18-35-10-8-12-37-24-29-47(45)55(39)53(35)37)32-49-48-31-40(25-30-51(48)58-56(49)50)44-26-21-38-19-17-34-9-7-11-36-23-28-46(44)54(38)52(34)36;1-3-10-36(11-4-1)47(37-12-5-2-6-13-37)38-22-16-30(17-23-38)34-20-26-43-41(28-34)42-29-35(21-27-44(42)48-43)39-24-18-33-15-14-31-8-7-9-32-19-25-40(39)46(33)45(31)32;1-3-10-30(11-4-1)41(31-12-5-2-6-13-31)32-19-23-38-36(25-32)35-24-29(18-22-37(35)42-38)33-20-16-28-15-14-26-8-7-9-27-17-21-34(33)40(28)39(26)27/h1-37,55,57H;1-33,48,51H;1-29,42,44H;1-25,35,37H
InChIKeyIPYFDLFUUCNEGH-UHFFFAOYSA-N
XLogP54.67
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002703.32
LogP ≤ 554.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z,1E)-1-(8-ethyl-1-methylidenenaphthalen-2-ylidene)but-2-enyl]-N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-4-amine
CID 89189187
8-pyren-1-yl-4a,9b-dihydrodibenzofuran
CID 58556367
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
CID 166777333
N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167183724

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline?
The IUPAC name of N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline (CID 158771666) is N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline?
The canonical SMILES for N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline is C1=CC2Oc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3c(cc(-c4ccc5ccc6cccc7ccc4c5c67)cc3N(c3ccccc3)c3ccccc3)C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(N(c4ccccc4)c4ccccc4)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline?
The InChIKey is IPYFDLFUUCNEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO.C56H35NO.C46H31NO.C40H27NO/c1-3-13-47(14-4-1)63(48-15-5-2-6-16-48)49-28-21-38(22-29-49)54-36-46(51-31-24-44-20-18-40-10-8-12-42-26-33-53(51)61(44)59(40)42)37-56-55-35-45(27-34-57(55)64-62(54)56)50-30-23-43-19-17-39-9-7-11-41-25-32-52(50)60(43)58(39)41;1-3-13-42(14-4-1)57(43-15-5-2-6-16-43)50-33-41(45-27-22-39-20-18-35-10-8-12-37-24-29-47(45)55(39)53(35)37)32-49-48-31-40(25-30-51(48)58-56(49)50)44-26-21-38-19-17-34-9-7-11-36-23-28-46(44)54(38)52(34)36;1-3-10-36(11-4-1)47(37-12-5-2-6-13-37)38-22-16-30(17-23-38)34-20-26-43-41(28-34)42-29-35(21-27-44(42)48-43)39-24-18-33-15-14-31-8-7-9-32-19-25-40(39)46(33)45(31)32;1-3-10-30(11-4-1)41(31-12-5-2-6-13-31)32-19-23-38-36(25-32)35-24-29(18-22-37(35)42-38)33-20-16-28-15-14-26-8-7-9-27-17-21-34(33)40(28)39(26)27/h1-37,55,57H;1-33,48,51H;1-29,42,44H;1-25,35,37H.
What are the key properties of N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline?
N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline has a molecular weight of 2703.32 g/mol, XLogP of 54.67, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-amine;N,N-diphenyl-8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-amine;N,N-diphenyl-4-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)aniline;4-[2,8-di(pyren-1-yl)-5a,9a-dihydrodibenzofuran-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 158771666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).