ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline

C59H46N2 — CID 144605037

IUPACethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
SMILESCC.CC.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)nc1
InChIInChI=1S/C55H34N2.2C2H6/c1-3-11-45-43(9-1)49-15-7-13-47-41(30-32-51(45)54(47)49)35-18-24-38(25-19-35)57(40-28-22-37(23-29-40)53-17-5-6-34-56-53)39-26-20-36(21-27-39)42-31-33-52-46-12-4-2-10-44(46)50-16-8-14-48(42)55(50)52;2*1-2/h1-34H;2*1-2H3
InChIKeyJROXVAOSOGXNGI-UHFFFAOYSA-N
MW783.03 g/mol
LogP17.21
Rot. Bonds6

About ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline

ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 144605037) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Nameethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
PubChem CID144605037
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Nameethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
SMILESCC.CC.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)nc1
InChIInChI=1S/C55H34N2.2C2H6/c1-3-11-45-43(9-1)49-15-7-13-47-41(30-32-51(45)54(47)49)35-18-24-38(25-19-35)57(40-28-22-37(23-29-40)53-17-5-6-34-56-53)39-26-20-36(21-27-39)42-31-33-52-46-12-4-2-10-44(46)50-16-8-14-48(42)55(50)52;2*1-2/h1-34H;2*1-2H3
InChIKeyJROXVAOSOGXNGI-UHFFFAOYSA-N
XLogP17.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 166714366
2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
CID 155460562
2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
CID 59629683
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
CID 134386989
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine
CID 134448228
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The IUPAC name of ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline (CID 144605037) is ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The canonical SMILES for ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline is CC.CC.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)nc1.
What is the InChIKey of ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
The InChIKey is JROXVAOSOGXNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2.2C2H6/c1-3-11-45-43(9-1)49-15-7-13-47-41(30-32-51(45)54(47)49)35-18-24-38(25-19-35)57(40-28-22-37(23-29-40)53-17-5-6-34-56-53)39-26-20-36(21-27-39)42-31-33-52-46-12-4-2-10-44(46)50-16-8-14-48(42)55(50)52;2*1-2/h1-34H;2*1-2H3.
What are the key properties of ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline?
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline has a molecular weight of 783.03 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 144605037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).