1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole

C52H34N6 — CID 168835869

IUPAC1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-4-15-38(16-5-1)50-54-51(39-17-6-2-7-18-39)56-52(55-50)40-32-28-36(29-33-40)35-26-30-37(31-27-35)47-49(57-34-13-12-25-46(57)53-47)44-23-14-22-43-42-21-10-11-24-45(42)58(48(43)44)41-19-8-3-9-20-41/h1-34H
InChIKeyZZWAVNBNDIJQBL-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.62
Rot. Bonds7

About 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole

1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole (PubChem CID 168835869) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole
PubChem CID168835869
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-4-15-38(16-5-1)50-54-51(39-17-6-2-7-18-39)56-52(55-50)40-32-28-36(29-33-40)35-26-30-37(31-27-35)47-49(57-34-13-12-25-46(57)53-47)44-23-14-22-43-42-21-10-11-24-45(42)58(48(43)44)41-19-8-3-9-20-41/h1-34H
InChIKeyZZWAVNBNDIJQBL-UHFFFAOYSA-N
XLogP12.62
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
3,6-di(carbazol-9-yl)-9-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 121260661
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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
12-[4-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160666176
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
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
2-naphthalen-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781194
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 139342063
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole (CID 168835869) is 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)n2)cc1.
What is the InChIKey of 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole?
The InChIKey is ZZWAVNBNDIJQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-4-15-38(16-5-1)50-54-51(39-17-6-2-7-18-39)56-52(55-50)40-32-28-36(29-33-40)35-26-30-37(31-27-35)47-49(57-34-13-12-25-46(57)53-47)44-23-14-22-43-42-21-10-11-24-45(42)58(48(43)44)41-19-8-3-9-20-41/h1-34H.
What are the key properties of 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole?
1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole has a molecular weight of 742.89 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 168835869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).