2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole

C52H36N6O2 — CID 135250290

IUPAC2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C7=NCCO7)cn6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc(C5=NCCO5)cn4)ccc32)cc1
InChIInChI=1S/C52H36N6O2/c1-3-7-39(8-4-1)57-47-19-13-33(27-41(47)43-29-35(15-21-49(43)57)45-17-11-37(31-55-45)51-53-23-25-59-51)34-14-20-48-42(28-34)44-30-36(16-22-50(44)58(48)40-9-5-2-6-10-40)46-18-12-38(32-56-46)52-54-24-26-60-52/h1-22,27-32H,23-26H2
InChIKeyYNPTYWWGXNSYLH-UHFFFAOYSA-N
MW776.90 g/mol
LogP11.23
Rot. Bonds7

About 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250290) has the molecular formula C52H36N6O2 and a molecular weight of 776.90 g/mol. Its IUPAC name is 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250290
Molecular FormulaC52H36N6O2
Molecular Weight776.90 g/mol
Exact Mass776.29
IUPAC Name2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C7=NCCO7)cn6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc(C5=NCCO5)cn4)ccc32)cc1
InChIInChI=1S/C52H36N6O2/c1-3-7-39(8-4-1)57-47-19-13-33(27-41(47)43-29-35(15-21-49(43)57)45-17-11-37(31-55-45)51-53-23-25-59-51)34-14-20-48-42(28-34)44-30-36(16-22-50(44)58(48)40-9-5-2-6-10-40)46-18-12-38(32-56-46)52-54-24-26-60-52/h1-22,27-32H,23-26H2
InChIKeyYNPTYWWGXNSYLH-UHFFFAOYSA-N
XLogP11.23
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.90
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135250126
2-[4-[3-[9-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250322
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
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
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135250290) is 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C7=NCCO7)cn6)ccc4n5-c4ccccc4)cc3c3cc(-c4ccc(C5=NCCO5)cn4)ccc32)cc1.
What is the InChIKey of 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YNPTYWWGXNSYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O2/c1-3-7-39(8-4-1)57-47-19-13-33(27-41(47)43-29-35(15-21-49(43)57)45-17-11-37(31-55-45)51-53-23-25-59-51)34-14-20-48-42(28-34)44-30-36(16-22-50(44)58(48)40-9-5-2-6-10-40)46-18-12-38(32-56-46)52-54-24-26-60-52/h1-22,27-32H,23-26H2.
What are the key properties of 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 776.90 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[6-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).