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

C42H28O — CID 177128021

IUPAC12-[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
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3O4)cc21
InChIInChI=1S/C42H28O/c1-42(28-12-3-2-4-13-28)37-20-9-7-16-32(37)33-23-22-27(26-38(33)42)29-14-5-6-15-30(29)31-24-25-40-41-35(31)18-11-19-36(41)34-17-8-10-21-39(34)43-40/h2-26H,1H3
InChIKeyVLLFTGNPDKIOEU-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.28
Rot. Bonds3

About 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

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 (PubChem CID 177128021) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID177128021
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name12-[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
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3O4)cc21
InChIInChI=1S/C42H28O/c1-42(28-12-3-2-4-13-28)37-20-9-7-16-32(37)33-23-22-27(26-38(33)42)29-14-5-6-15-30(29)31-24-25-40-41-35(31)18-11-19-36(41)34-17-8-10-21-39(34)43-40/h2-26H,1H3
InChIKeyVLLFTGNPDKIOEU-UHFFFAOYSA-N
XLogP11.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170013597
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)spiro[fluorene-9,9'-xanthene]
CID 170037139
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
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-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
12-[4-(9,9'-spirobi[fluorene]-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 170030590
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
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
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
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3O4)cc21.
What is the InChIKey of 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?
The InChIKey is VLLFTGNPDKIOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-42(28-12-3-2-4-13-28)37-20-9-7-16-32(37)33-23-22-27(26-38(33)42)29-14-5-6-15-30(29)31-24-25-40-41-35(31)18-11-19-36(41)34-17-8-10-21-39(34)43-40/h2-26H,1H3.
What are the key properties of 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?
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 has a molecular weight of 548.69 g/mol, XLogP of 11.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177128021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).