1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene

C52H38 — CID 144938931

IUPAC1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3ccc4c(c3)-c3cccc(C)c3C4(c3ccccc3)c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C52H38/c1-35-28-30-44-43-25-12-13-27-47(43)51(49(44)32-35,39-18-6-3-7-19-39)42-24-15-17-37(33-42)38-29-31-48-46(34-38)45-26-14-16-36(2)50(45)52(48,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-34H,1-2H3
InChIKeyMXFFDTIPKWLXBT-UHFFFAOYSA-N
MW662.88 g/mol
LogP12.70
Rot. Bonds5

About 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene

1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene (PubChem CID 144938931) has the molecular formula C52H38 and a molecular weight of 662.88 g/mol. Its IUPAC name is 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
PubChem CID144938931
Molecular FormulaC52H38
Molecular Weight662.88 g/mol
Exact Mass662.30
IUPAC Name1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3ccc4c(c3)-c3cccc(C)c3C4(c3ccccc3)c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C52H38/c1-35-28-30-44-43-25-12-13-27-47(43)51(49(44)32-35,39-18-6-3-7-19-39)42-24-15-17-37(33-42)38-29-31-48-46(34-38)45-26-14-16-36(2)50(45)52(48,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-34H,1-2H3
InChIKeyMXFFDTIPKWLXBT-UHFFFAOYSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
2-iodo-3-[3-(3-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene
CID 144938622
3,9,9-triphenylfluorene
CID 140844354
2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene]
CID 158592384
9-[3-[(9,9-dimethylfluoren-4-yl)methyl]phenyl]-6-[3-(2-iodo-9-phenylfluoren-9-yl)phenyl]-1-methyl-9-phenylfluorene
CID 144938972
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The IUPAC name of 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene (CID 144938931) is 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene is Cc1ccc2c(c1)C(c1ccccc1)(c1cccc(-c3ccc4c(c3)-c3cccc(C)c3C4(c3ccccc3)c3ccccc3)c1)c1ccccc1-2.
What is the InChIKey of 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
The InChIKey is MXFFDTIPKWLXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38/c1-35-28-30-44-43-25-12-13-27-47(43)51(49(44)32-35,39-18-6-3-7-19-39)42-24-15-17-37(33-42)38-29-31-48-46(34-38)45-26-14-16-36(2)50(45)52(48,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-34H,1-2H3.
What are the key properties of 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene?
1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene has a molecular weight of 662.88 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-(2-methyl-9-phenylfluoren-9-yl)phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 144938931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).