5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole

C36H28N4O — CID 129308619

IUPAC5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole
SMILESCC1(C)c2ccc(C3=NNC(c4ccccc4)O3)cc2-c2ccc3c(cnn3-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C36H28N4O/c1-36(2)31-18-16-26(35-39-38-34(41-35)24-12-7-4-8-13-24)21-29(31)28-17-19-32-30(33(28)36)22-37-40(32)27-15-9-14-25(20-27)23-10-5-3-6-11-23/h3-22,34,38H,1-2H3
InChIKeyVPXFSKFGRUNKQB-UHFFFAOYSA-N
MW532.65 g/mol
LogP7.98
Rot. Bonds4

About 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole

5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 129308619) has the molecular formula C36H28N4O and a molecular weight of 532.65 g/mol. Its IUPAC name is 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole
PubChem CID129308619
Molecular FormulaC36H28N4O
Molecular Weight532.65 g/mol
Exact Mass532.23
IUPAC Name5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole
SMILESCC1(C)c2ccc(C3=NNC(c4ccccc4)O3)cc2-c2ccc3c(cnn3-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C36H28N4O/c1-36(2)31-18-16-26(35-39-38-34(41-35)24-12-7-4-8-13-24)21-29(31)28-17-19-32-30(33(28)36)22-37-40(32)27-15-9-14-25(20-27)23-10-5-3-6-11-23/h3-22,34,38H,1-2H3
InChIKeyVPXFSKFGRUNKQB-UHFFFAOYSA-N
XLogP7.98
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 155465840
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
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1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
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CID 118099081
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CID 144964083

Frequently Asked Questions

What is the IUPAC name of 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole (CID 129308619) is 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole is CC1(C)c2ccc(C3=NNC(c4ccccc4)O3)cc2-c2ccc3c(cnn3-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is VPXFSKFGRUNKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O/c1-36(2)31-18-16-26(35-39-38-34(41-35)24-12-7-4-8-13-24)21-29(31)28-17-19-32-30(33(28)36)22-37-40(32)27-15-9-14-25(20-27)23-10-5-3-6-11-23/h3-22,34,38H,1-2H3.
What are the key properties of 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole?
5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 532.65 g/mol, XLogP of 7.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10,10-dimethyl-3-(3-phenylphenyl)indeno[2,1-e]indazol-7-yl]-2-phenyl-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 129308619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).