10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C36H24O — CID 170014482

IUPAC10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4cccc5c4c3Oc3ccccc3-5)ccc21
InChIInChI=1S/C36H24O/c1-36(25-11-3-2-4-12-25)31-16-7-5-13-27(31)30-22-24(19-21-32(30)36)26-20-18-23-10-9-15-29-28-14-6-8-17-33(28)37-35(26)34(23)29/h2-22H,1H3
InChIKeyRBLPIUDXXRGNBR-UHFFFAOYSA-N
MW472.59 g/mol
LogP9.61
Rot. Bonds2

About 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 170014482) has the molecular formula C36H24O and a molecular weight of 472.59 g/mol. Its IUPAC name is 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID170014482
Molecular FormulaC36H24O
Molecular Weight472.59 g/mol
Exact Mass472.18
IUPAC Name10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4cccc5c4c3Oc3ccccc3-5)ccc21
InChIInChI=1S/C36H24O/c1-36(25-11-3-2-4-12-25)31-16-7-5-13-27(31)30-22-24(19-21-32(30)36)26-20-18-23-10-9-15-29-28-14-6-8-17-33(28)37-35(26)34(23)29/h2-22H,1H3
InChIKeyRBLPIUDXXRGNBR-UHFFFAOYSA-N
XLogP9.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
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
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
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-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
6-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014679
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
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
9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 174307165
11-(9,9-diphenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170015085
10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine
CID 168855693

Frequently Asked Questions

What is the IUPAC name of 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 170014482) is 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1(c2ccccc2)c2ccccc2-c2cc(-c3ccc4cccc5c4c3Oc3ccccc3-5)ccc21.
What is the InChIKey of 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is RBLPIUDXXRGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O/c1-36(25-11-3-2-4-12-25)31-16-7-5-13-27(31)30-22-24(19-21-32(30)36)26-20-18-23-10-9-15-29-28-14-6-8-17-33(28)37-35(26)34(23)29/h2-22H,1H3.
What are the key properties of 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 472.59 g/mol, XLogP of 9.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 170014482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).