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

C61H45N5 — CID 167376713

IUPAC6-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
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2cccc(-c3c(-c4ccccc4)nc4ccccn34)c2)n1
InChIInChI=1S/C61H45N5/c1-44-15-13-25-59(62-44)66(57-23-14-22-52(43-57)61-60(51-20-9-4-10-21-51)63-58-24-11-12-42-64(58)61)56-40-32-50(33-41-56)49-30-38-55(39-31-49)65(53-34-26-47(27-35-53)45-16-5-2-6-17-45)54-36-28-48(29-37-54)46-18-7-3-8-19-46/h2-43H,1H3
InChIKeyCWYZUQJOAWZJAV-UHFFFAOYSA-N
MW848.07 g/mol
LogP16.31
Rot. Bonds11

About 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

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 (PubChem CID 167376713) has the molecular formula C61H45N5 and a molecular weight of 848.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID167376713
Molecular FormulaC61H45N5
Molecular Weight848.07 g/mol
Exact Mass847.37
IUPAC Name6-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
SMILESCc1cccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2cccc(-c3c(-c4ccccc4)nc4ccccn34)c2)n1
InChIInChI=1S/C61H45N5/c1-44-15-13-25-59(62-44)66(57-23-14-22-52(43-57)61-60(51-20-9-4-10-21-51)63-58-24-11-12-42-64(58)61)56-40-32-50(33-41-56)49-30-38-55(39-31-49)65(53-34-26-47(27-35-53)45-16-5-2-6-17-45)54-36-28-48(29-37-54)46-18-7-3-8-19-46/h2-43H,1H3
InChIKeyCWYZUQJOAWZJAV-UHFFFAOYSA-N
XLogP16.31
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.07
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
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
9-phenyl-N-[4-[4-[N-(9-phenylcarbazol-3-yl)-3-(3-phenylimidazo[1,2-a]pyridin-2-yl)anilino]phenyl]phenyl]-N-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazol-3-amine
CID 167376746
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
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
CID 59390738
2-(4-phenylphenyl)-3-[3-[4-phenyl-6-[3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 164781069
N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline
CID 158587057
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 164781014
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2cccc(-c3c(-c4ccccc4)nc4ccccn34)c2)n1.
What is the InChIKey of 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?
The InChIKey is CWYZUQJOAWZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N5/c1-44-15-13-25-59(62-44)66(57-23-14-22-52(43-57)61-60(51-20-9-4-10-21-51)63-58-24-11-12-42-64(58)61)56-40-32-50(33-41-56)49-30-38-55(39-31-49)65(53-34-26-47(27-35-53)45-16-5-2-6-17-45)54-36-28-48(29-37-54)46-18-7-3-8-19-46/h2-43H,1H3.
What are the key properties of 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?
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 has a molecular weight of 848.07 g/mol, XLogP of 16.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167376713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).