4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene

C36H28 — CID 144938961

IUPAC4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCC1C=Cc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C36H28/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-22,24-25H,23H2,1H3
InChIKeySSEOPEHBHBXMHH-UHFFFAOYSA-N
MW460.62 g/mol
LogP8.92
Rot. Bonds3

About 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene

4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene (PubChem CID 144938961) has the molecular formula C36H28 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene
PubChem CID144938961
Molecular FormulaC36H28
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCC1C=Cc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C36H28/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-22,24-25H,23H2,1H3
InChIKeySSEOPEHBHBXMHH-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene
CID 123519909
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
CID 159278811
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4-methyl-9,9-diphenylfluorene
CID 123595050
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene?
The IUPAC name of 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene (CID 144938961) is 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene.
What is the SMILES notation for 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene?
The canonical SMILES for 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene is CC1C=Cc2ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2C1.
What is the InChIKey of 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene?
The InChIKey is SSEOPEHBHBXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28/c1-25-19-20-26-21-22-27(24-28(26)23-25)31-16-10-18-34-35(31)32-15-8-9-17-33(32)36(34,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-22,24-25H,23H2,1H3.
What are the key properties of 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene?
4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene has a molecular weight of 460.62 g/mol, XLogP of 8.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene is sourced from PubChem (CID 144938961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).