N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine

C58H40N2 — CID 58903856

IUPACN-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C58H40N2/c1-37-17-25-41(26-18-37)59(55-35-33-51-47-11-5-3-9-45(47)49-13-7-15-53(55)57(49)51)43-29-21-39(22-30-43)40-23-31-44(32-24-40)60(42-27-19-38(2)20-28-42)56-36-34-52-48-12-6-4-10-46(48)50-14-8-16-54(56)58(50)52/h3-36H,1-2H3
InChIKeyVOSQDKLOXBPSHQ-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.51
Rot. Bonds7

About N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine

N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine (PubChem CID 58903856) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
PubChem CID58903856
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C58H40N2/c1-37-17-25-41(26-18-37)59(55-35-33-51-47-11-5-3-9-45(47)49-13-7-15-53(55)57(49)51)43-29-21-39(22-30-43)40-23-31-44(32-24-40)60(42-27-19-38(2)20-28-42)56-36-34-52-48-12-6-4-10-46(48)50-14-8-16-54(56)58(50)52/h3-36H,1-2H3
InChIKeyVOSQDKLOXBPSHQ-UHFFFAOYSA-N
XLogP16.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294
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
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
CID 162082403
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 177096983
3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
CID 87372229
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine?
The IUPAC name of N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine (CID 58903856) is N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine.
What is the SMILES notation for N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine?
The canonical SMILES for N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine?
The InChIKey is VOSQDKLOXBPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-37-17-25-41(26-18-37)59(55-35-33-51-47-11-5-3-9-45(47)49-13-7-15-53(55)57(49)51)43-29-21-39(22-30-43)40-23-31-44(32-24-40)60(42-27-19-38(2)20-28-42)56-36-34-52-48-12-6-4-10-46(48)50-14-8-16-54(56)58(50)52/h3-36H,1-2H3.
What are the key properties of N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine?
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine has a molecular weight of 764.97 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine is sourced from PubChem (CID 58903856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).