4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C62H43N — CID 167297413

IUPAC4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C62H43N/c1-3-13-44(14-4-1)53-35-42-61(47-15-5-2-6-16-47)62(43-53)52-27-25-45(26-28-52)46-29-36-54(37-30-46)63(55-38-31-50(32-39-55)59-23-11-19-48-17-7-9-21-57(48)59)56-40-33-51(34-41-56)60-24-12-20-49-18-8-10-22-58(49)60/h1-43H
InChIKeyBNJFHVPBBGVXBE-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline

4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167297413) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID167297413
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C62H43N/c1-3-13-44(14-4-1)53-35-42-61(47-15-5-2-6-16-47)62(43-53)52-27-25-45(26-28-52)46-29-36-54(37-30-46)63(55-38-31-50(32-39-55)59-23-11-19-48-17-7-9-21-57(48)59)56-40-33-51(34-41-56)60-24-12-20-49-18-8-10-22-58(49)60/h1-43H
InChIKeyBNJFHVPBBGVXBE-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 167297413) is 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is BNJFHVPBBGVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-3-13-44(14-4-1)53-35-42-61(47-15-5-2-6-16-47)62(43-53)52-27-25-45(26-28-52)46-29-36-54(37-30-46)63(55-38-31-50(32-39-55)59-23-11-19-48-17-7-9-21-57(48)59)56-40-33-51(34-41-56)60-24-12-20-49-18-8-10-22-58(49)60/h1-43H.
What are the key properties of 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167297413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).