5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C40H26O — CID 170025386

IUPAC5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C40H26O/c1-40(29-12-3-2-4-13-29)35-23-27(18-20-31(35)34-22-17-25-9-5-6-14-30(25)39(34)40)28-19-21-32-33-15-7-10-26-11-8-16-36(38(26)33)41-37(32)24-28/h2-24H,1H3
InChIKeyDBGVRAPJPHEFGS-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.77
Rot. Bonds2

About 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 170025386) has the molecular formula C40H26O and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID170025386
Molecular FormulaC40H26O
Molecular Weight522.65 g/mol
Exact Mass522.20
IUPAC Name5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C40H26O/c1-40(29-12-3-2-4-13-29)35-23-27(18-20-31(35)34-22-17-25-9-5-6-14-30(25)39(34)40)28-19-21-32-33-15-7-10-26-11-8-16-36(38(26)33)41-37(32)24-28/h2-24H,1H3
InChIKeyDBGVRAPJPHEFGS-UHFFFAOYSA-N
XLogP10.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Related Compounds

4-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025175
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015285
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
12-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177128021
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
5-benzo[a]anthracen-8-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171044668
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171046100
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
CID 134166054
2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936847
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512

Frequently Asked Questions

What is the IUPAC name of 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 170025386) is 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is CC1(c2ccccc2)c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is DBGVRAPJPHEFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O/c1-40(29-12-3-2-4-13-29)35-23-27(18-20-31(35)34-22-17-25-9-5-6-14-30(25)39(34)40)28-19-21-32-33-15-7-10-26-11-8-16-36(38(26)33)41-37(32)24-28/h2-24H,1H3.
What are the key properties of 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 522.65 g/mol, XLogP of 10.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 170025386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).