3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline

C66H47N — CID 146665629

IUPAC3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H47N/c1-4-13-48(14-5-1)50-23-27-52(28-24-50)54-31-35-56(36-32-54)58-39-43-62(44-40-58)67(64-20-12-19-61(47-64)66-22-11-10-21-65(66)60-17-8-3-9-18-60)63-45-41-59(42-46-63)57-37-33-55(34-38-57)53-29-25-51(26-30-53)49-15-6-2-7-16-49/h1-47H
InChIKeyIYAVEUGOHPSHSJ-UHFFFAOYSA-N
MW854.11 g/mol
LogP18.49
Rot. Bonds11

About 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline

3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 146665629) has the molecular formula C66H47N and a molecular weight of 854.11 g/mol. Its IUPAC name is 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID146665629
Molecular FormulaC66H47N
Molecular Weight854.11 g/mol
Exact Mass853.37
IUPAC Name3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H47N/c1-4-13-48(14-5-1)50-23-27-52(28-24-50)54-31-35-56(36-32-54)58-39-43-62(44-40-58)67(64-20-12-19-61(47-64)66-22-11-10-21-65(66)60-17-8-3-9-18-60)63-45-41-59(42-46-63)57-37-33-55(34-38-57)53-29-25-51(26-30-53)49-15-6-2-7-16-49/h1-47H
InChIKeyIYAVEUGOHPSHSJ-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
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
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline (CID 146665629) is 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is IYAVEUGOHPSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N/c1-4-13-48(14-5-1)50-23-27-52(28-24-50)54-31-35-56(36-32-54)58-39-43-62(44-40-58)67(64-20-12-19-61(47-64)66-22-11-10-21-65(66)60-17-8-3-9-18-60)63-45-41-59(42-46-63)57-37-33-55(34-38-57)53-29-25-51(26-30-53)49-15-6-2-7-16-49/h1-47H.
What are the key properties of 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline?
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 854.11 g/mol, XLogP of 18.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 146665629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).