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

C44H31N5 — CID 67628160

IUPAC3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESC1=Cc2nc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc4n5-c4ccccc4)cc3)cn2CC1
InChIInChI=1S/C44H31N5/c1-2-8-36(9-3-1)49-41-22-20-34(30-12-16-32(17-13-30)39-28-47-24-6-4-10-43(47)45-39)26-37(41)38-27-35(21-23-42(38)49)31-14-18-33(19-15-31)40-29-48-25-7-5-11-44(48)46-40/h1-6,8-24,26-29H,7,25H2
InChIKeyLISYLNDDTRVKAA-UHFFFAOYSA-N
MW629.77 g/mol
LogP10.71
Rot. Bonds5

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

3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole (PubChem CID 67628160) has the molecular formula C44H31N5 and a molecular weight of 629.77 g/mol. Its IUPAC name is 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole
PubChem CID67628160
Molecular FormulaC44H31N5
Molecular Weight629.77 g/mol
Exact Mass629.26
IUPAC Name3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESC1=Cc2nc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc4n5-c4ccccc4)cc3)cn2CC1
InChIInChI=1S/C44H31N5/c1-2-8-36(9-3-1)49-41-22-20-34(30-12-16-32(17-13-30)39-28-47-24-6-4-10-43(47)45-39)26-37(41)38-27-35(21-23-42(38)49)31-14-18-33(19-15-31)40-29-48-25-7-5-11-44(48)46-40/h1-6,8-24,26-29H,7,25H2
InChIKeyLISYLNDDTRVKAA-UHFFFAOYSA-N
XLogP10.71
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.77
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
CID 168835786
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
9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663548
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
5,22-diphenyl-18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene;18-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5,22-diphenyl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 158353313
2-[4-[10-[4-[10-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-7-phenylimidazo[1,2-a]pyridine;6-phenyl-2-[4-[10-[4-[10-[4-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 158282374
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole (CID 67628160) is 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole is C1=Cc2nc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cn8ccccc8n7)cc6)ccc4n5-c4ccccc4)cc3)cn2CC1.
What is the InChIKey of 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole?
The InChIKey is LISYLNDDTRVKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5/c1-2-8-36(9-3-1)49-41-22-20-34(30-12-16-32(17-13-30)39-28-47-24-6-4-10-43(47)45-39)26-37(41)38-27-35(21-23-42(38)49)31-14-18-33(19-15-31)40-29-48-25-7-5-11-44(48)46-40/h1-6,8-24,26-29H,7,25H2.
What are the key properties of 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole?
3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole has a molecular weight of 629.77 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 67628160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).