3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

C60H47N — CID 170022525

IUPAC3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1-c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5C=CCC6)c4)c3)cc2)cc1C
InChIInChI=1S/C60H47N/c1-42-14-6-8-25-57(42)58-37-32-52(38-43(58)2)46-30-35-55(36-31-46)61(54-33-28-45(29-34-54)49-20-10-19-48(39-49)44-15-4-3-5-16-44)56-24-12-22-51(41-56)50-21-11-23-53(40-50)60-27-13-18-47-17-7-9-26-59(47)60/h3-6,8-16,18-41H,7,17H2,1-2H3
InChIKeyQCGIEEDTBOZCLO-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.73
Rot. Bonds9

About 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline

3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 170022525) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID170022525
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC Name3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccccc1-c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5C=CCC6)c4)c3)cc2)cc1C
InChIInChI=1S/C60H47N/c1-42-14-6-8-25-57(42)58-37-32-52(38-43(58)2)46-30-35-55(36-31-46)61(54-33-28-45(29-34-54)49-20-10-19-48(39-49)44-15-4-3-5-16-44)56-24-12-22-51(41-56)50-21-11-23-53(40-50)60-27-13-18-47-17-7-9-26-59(47)60/h3-6,8-16,18-41H,7,17H2,1-2H3
InChIKeyQCGIEEDTBOZCLO-UHFFFAOYSA-N
XLogP16.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
CID 144907562
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 89083534
N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine
CID 174293532
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 170022525) is 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is Cc1ccccc1-c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc(-c5cccc6c5C=CCC6)c4)c3)cc2)cc1C.
What is the InChIKey of 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is QCGIEEDTBOZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-42-14-6-8-25-57(42)58-37-32-52(38-43(58)2)46-30-35-55(36-31-46)61(54-33-28-45(29-34-54)49-20-10-19-48(39-49)44-15-4-3-5-16-44)56-24-12-22-51(41-56)50-21-11-23-53(40-50)60-27-13-18-47-17-7-9-26-59(47)60/h3-6,8-16,18-41H,7,17H2,1-2H3.
What are the key properties of 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 782.04 g/mol, XLogP of 16.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170022525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).