2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole

C38H24N4O — CID 118228218

IUPAC2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H
InChIKeyHBXYMHVDOPNTFO-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

About 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole

2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 118228218) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

Compound Name2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
PubChem CID118228218
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole
SMILESc1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1
InChIInChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H
InChIKeyHBXYMHVDOPNTFO-UHFFFAOYSA-N
XLogP9.60
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519560
2-[5-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525586
2-[5-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155531970
2-[4-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155535137
2-[5-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155541169
2-[4-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155550437
2-[5-[[4-Methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553981
2-[4-[[4-Methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155560192
5-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19(24),20,22-undecaene-21-carbonitrile
CID 129127794
10-[3-(1,3-Benzoxazol-2-yl)-5-phenoxazin-10-yl-7-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]phenoxazine
CID 129148201
2,4-Bis(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134394221
2-(9,19-Diazaoctacyclo[17.12.1.02,10.03,8.012,32.013,18.020,25.026,31]dotriaconta-1(32),2(10),3,5,7,11,13,15,17,20,22,24,26,28,30-pentadecaen-9-yl)-3-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-b]pyrazine
CID 163645638

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The IUPAC name of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole (CID 118228218) is 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole.
What is the SMILES notation for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The canonical SMILES for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c3o2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
The InChIKey is HBXYMHVDOPNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-12-25(13-4-1)37-39-30-19-8-10-21-33(30)42(37)28-17-11-16-27(24-28)41-32-20-9-7-18-29(32)35-34(41)23-22-31-36(35)43-38(40-31)26-14-5-2-6-15-26/h1-24H.
What are the key properties of 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole?
2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 552.64 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 118228218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).