ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine

C64H60N2 — CID 91567047

IUPACethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
SMILESCC.CC.CC.CC.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C56H36N2.4C2H6/c1-3-13-39(14-4-1)57(53-35-33-49-45-19-9-7-17-43(45)47-21-11-23-51(53)55(47)49)41-29-25-37(26-30-41)38-27-31-42(32-28-38)58(40-15-5-2-6-16-40)54-36-34-50-46-20-10-8-18-44(46)48-22-12-24-52(54)56(48)50;4*1-2/h1-36H;4*1-2H3
InChIKeyLFVQYFWFUPQMIU-UHFFFAOYSA-N
MW857.20 g/mol
LogP20.00
Rot. Bonds7

About ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine

ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine (PubChem CID 91567047) has the molecular formula C64H60N2 and a molecular weight of 857.20 g/mol. Its IUPAC name is ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine.

Molecular Properties

Compound Nameethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
PubChem CID91567047
Molecular FormulaC64H60N2
Molecular Weight857.20 g/mol
Exact Mass856.48
IUPAC Nameethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
SMILESCC.CC.CC.CC.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C56H36N2.4C2H6/c1-3-13-39(14-4-1)57(53-35-33-49-45-19-9-7-17-43(45)47-21-11-23-51(53)55(47)49)41-29-25-37(26-30-41)38-27-31-42(32-28-38)58(40-15-5-2-6-16-40)54-36-34-50-46-20-10-8-18-44(46)48-22-12-24-52(54)56(48)50;4*1-2/h1-36H;4*1-2H3
InChIKeyLFVQYFWFUPQMIU-UHFFFAOYSA-N
XLogP20.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.20
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294
5-N,5-N-diphenyl-12-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855809
6-N,6-N,12-N-triphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855927
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-12-amine
CID 168855726

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine?
The IUPAC name of ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine (CID 91567047) is ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine.
What is the SMILES notation for ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine?
The canonical SMILES for ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine is CC.CC.CC.CC.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine?
The InChIKey is LFVQYFWFUPQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.4C2H6/c1-3-13-39(14-4-1)57(53-35-33-49-45-19-9-7-17-43(45)47-21-11-23-51(53)55(47)49)41-29-25-37(26-30-41)38-27-31-42(32-28-38)58(40-15-5-2-6-16-40)54-36-34-50-46-20-10-8-18-44(46)48-22-12-24-52(54)56(48)50;4*1-2/h1-36H;4*1-2H3.
What are the key properties of ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine?
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine has a molecular weight of 857.20 g/mol, XLogP of 20.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine is sourced from PubChem (CID 91567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).