1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C62H44N2 — CID 176588419

IUPAC1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C62H44N2/c1-5-19-45(20-6-1)46-35-38-52(39-36-46)64(62-56-31-16-14-26-50(56)37-44-60(62)59-34-17-27-47-25-13-15-30-55(47)59)54-42-40-53(41-43-54)63(51-28-11-4-12-29-51)61-57(48-21-7-2-8-22-48)32-18-33-58(61)49-23-9-3-10-24-49/h1-44H
InChIKeyUADSPNPNAMCNGY-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.60
Rot. Bonds10

About 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 176588419) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID176588419
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C62H44N2/c1-5-19-45(20-6-1)46-35-38-52(39-36-46)64(62-56-31-16-14-26-50(56)37-44-60(62)59-34-17-27-47-25-13-15-30-55(47)59)54-42-40-53(41-43-54)63(51-28-11-4-12-29-51)61-57(48-21-7-2-8-22-48)32-18-33-58(61)49-23-9-3-10-24-49/h1-44H
InChIKeyUADSPNPNAMCNGY-UHFFFAOYSA-N
XLogP17.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 176588231
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 121387026
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-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 176588293
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
2-N'-phenyl-2-N'-(2-phenylnaphthalen-1-yl)-2-N,2-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633841
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-(3-phenanthren-9-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 177079964
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 176588419) is 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(N(c4ccccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3c(-c4cccc5ccccc45)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is UADSPNPNAMCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-5-19-45(20-6-1)46-35-38-52(39-36-46)64(62-56-31-16-14-26-50(56)37-44-60(62)59-34-17-27-47-25-13-15-30-55(47)59)54-42-40-53(41-43-54)63(51-28-11-4-12-29-51)61-57(48-21-7-2-8-22-48)32-18-33-58(61)49-23-9-3-10-24-49/h1-44H.
What are the key properties of 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 817.05 g/mol, XLogP of 17.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-diphenylphenyl)-4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 176588419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).