N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline

C58H40N6 — CID 167376610

IUPACN-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7c(-c8ccccc8)nc8ccccn78)cc6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H40N6/c1-5-15-41(16-6-1)42-24-28-48(29-25-42)57-60-56(47-19-9-3-10-20-47)61-58(62-57)49-30-26-43(27-31-49)44-32-36-51(37-33-44)64(50-21-11-4-12-22-50)52-38-34-46(35-39-52)55-54(45-17-7-2-8-18-45)59-53-23-13-14-40-63(53)55/h1-40H
InChIKeyRPJYFNRKQDTGEE-UHFFFAOYSA-N
MW821.00 g/mol
LogP14.66
Rot. Bonds10

About N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline

N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline (PubChem CID 167376610) has the molecular formula C58H40N6 and a molecular weight of 821.00 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
PubChem CID167376610
Molecular FormulaC58H40N6
Molecular Weight821.00 g/mol
Exact Mass820.33
IUPAC NameN-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7c(-c8ccccc8)nc8ccccn78)cc6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H40N6/c1-5-15-41(16-6-1)42-24-28-48(29-25-42)57-60-56(47-19-9-3-10-20-47)61-58(62-57)49-30-26-43(27-31-49)44-32-36-51(37-33-44)64(50-21-11-4-12-22-50)52-38-34-46(35-39-52)55-54(45-17-7-2-8-18-45)59-53-23-13-14-40-63(53)55/h1-40H
InChIKeyRPJYFNRKQDTGEE-UHFFFAOYSA-N
XLogP14.66
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
CID 148796411
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2,3,4,5,6-pentadeuterio-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 167376681
3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]fluorene-2,7-diamine
CID 167376601
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
6-methyl-N-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-2-amine
CID 167376713
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
bis(3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine);3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 159888199
3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835790
2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781104

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline?
The IUPAC name of N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline (CID 167376610) is N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline.
What is the SMILES notation for N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline?
The canonical SMILES for N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7c(-c8ccccc8)nc8ccccn78)cc6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline?
The InChIKey is RPJYFNRKQDTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N6/c1-5-15-41(16-6-1)42-24-28-48(29-25-42)57-60-56(47-19-9-3-10-20-47)61-58(62-57)49-30-26-43(27-31-49)44-32-36-51(37-33-44)64(50-21-11-4-12-22-50)52-38-34-46(35-39-52)55-54(45-17-7-2-8-18-45)59-53-23-13-14-40-63(53)55/h1-40H.
What are the key properties of N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline?
N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline has a molecular weight of 821.00 g/mol, XLogP of 14.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline is sourced from PubChem (CID 167376610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).