N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline

C59H43N — CID 162082403

IUPACN-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C59H43N/c1-42-38-40-48(41-39-42)60(47-30-15-6-16-31-47)54-37-20-19-34-51(54)49-32-17-18-33-50(49)52-35-21-36-53-55(43-22-7-2-8-23-43)56(44-24-9-3-10-25-44)57(45-26-11-4-12-27-45)58(59(52)53)46-28-13-5-14-29-46/h2-41H,1H3
InChIKeyOASHBZHJQJGRPN-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.62
Rot. Bonds9

About N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline

N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 162082403) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
PubChem CID162082403
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIInChI=1S/C59H43N/c1-42-38-40-48(41-39-42)60(47-30-15-6-16-31-47)54-37-20-19-34-51(54)49-32-17-18-33-50(49)52-35-21-36-53-55(43-22-7-2-8-23-43)56(44-24-9-3-10-25-44)57(45-26-11-4-12-27-45)58(59(52)53)46-28-13-5-14-29-46/h2-41H,1H3
InChIKeyOASHBZHJQJGRPN-UHFFFAOYSA-N
XLogP16.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]-N-(3-triphenylsilylphenyl)aniline
CID 158248863
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
N,N-diphenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]aniline
CID 158236513
N-[4-(4-methylphenyl)phenyl]-2,3-dinaphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 177096983
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
1-N,1-N-bis(4-methylphenyl)-2-N,2-N,3-triphenylbenzene-1,2-diamine
CID 141120368

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline (CID 162082403) is N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline is Cc1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is OASHBZHJQJGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-42-38-40-48(41-39-42)60(47-30-15-6-16-31-47)54-37-20-19-34-51(54)49-32-17-18-33-50(49)52-35-21-36-53-55(43-22-7-2-8-23-43)56(44-24-9-3-10-25-44)57(45-26-11-4-12-27-45)58(59(52)53)46-28-13-5-14-29-46/h2-41H,1H3.
What are the key properties of N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline?
N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 766.00 g/mol, XLogP of 16.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-phenyl-2-[2-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 162082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).