2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole

C46H30N6 — CID 168835786

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccc(-c7cn8ccccc8n7)cc6n(-c6ccccc6)c5c4)cc3)n2)cc1
InChIInChI=1S/C46H30N6/c1-4-12-32(13-5-1)44-48-45(33-14-6-2-7-15-33)50-46(49-44)34-21-19-31(20-22-34)35-23-25-38-39-26-24-36(40-30-51-27-11-10-18-43(51)47-40)29-42(39)52(41(38)28-35)37-16-8-3-9-17-37/h1-30H
InChIKeyJXOFYQQJTKTFAG-UHFFFAOYSA-N
MW666.79 g/mol
LogP10.95
Rot. Bonds6

About 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole (PubChem CID 168835786) has the molecular formula C46H30N6 and a molecular weight of 666.79 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
PubChem CID168835786
Molecular FormulaC46H30N6
Molecular Weight666.79 g/mol
Exact Mass666.25
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccc(-c7cn8ccccc8n7)cc6n(-c6ccccc6)c5c4)cc3)n2)cc1
InChIInChI=1S/C46H30N6/c1-4-12-32(13-5-1)44-48-45(33-14-6-2-7-15-33)50-46(49-44)34-21-19-31(20-22-34)35-23-25-38-39-26-24-36(40-30-51-27-11-10-18-43(51)47-40)29-42(39)52(41(38)28-35)37-16-8-3-9-17-37/h1-30H
InChIKeyJXOFYQQJTKTFAG-UHFFFAOYSA-N
XLogP10.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
3,6-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole;9-phenyl-3-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]-6-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-phenyl-3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159001249
2-phenyl-9-(3-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087458
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087301
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole (CID 168835786) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccc(-c7cn8ccccc8n7)cc6n(-c6ccccc6)c5c4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole?
The InChIKey is JXOFYQQJTKTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6/c1-4-12-32(13-5-1)44-48-45(33-14-6-2-7-15-33)50-46(49-44)34-21-19-31(20-22-34)35-23-25-38-39-26-24-36(40-30-51-27-11-10-18-43(51)47-40)29-42(39)52(41(38)28-35)37-16-8-3-9-17-37/h1-30H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole has a molecular weight of 666.79 g/mol, XLogP of 10.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole is sourced from PubChem (CID 168835786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).