9-methoxy-11-phenyl-11H-benzo[a]fluorene

C24H18O — CID 121348426

IUPAC9-methoxy-11-phenyl-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)C(c1ccccc1)c1c-2ccc2ccccc12
InChIInChI=1S/C24H18O/c1-25-18-12-14-20-21-13-11-16-7-5-6-10-19(16)24(21)23(22(20)15-18)17-8-3-2-4-9-17/h2-15,23H,1H3
InChIKeyAVJRGKQOSZJBIY-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.01
Rot. Bonds2

About 9-methoxy-11-phenyl-11H-benzo[a]fluorene

9-methoxy-11-phenyl-11H-benzo[a]fluorene (PubChem CID 121348426) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is 9-methoxy-11-phenyl-11H-benzo[a]fluorene.

Molecular Properties

Compound Name9-methoxy-11-phenyl-11H-benzo[a]fluorene
PubChem CID121348426
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name9-methoxy-11-phenyl-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)C(c1ccccc1)c1c-2ccc2ccccc12
InChIInChI=1S/C24H18O/c1-25-18-12-14-20-21-13-11-16-7-5-6-10-19(16)24(21)23(22(20)15-18)17-8-3-2-4-9-17/h2-15,23H,1H3
InChIKeyAVJRGKQOSZJBIY-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-(2,4-dimethoxyphenyl)-9-methoxy-12H-benzo[a]xanthene
CID 45258152
4-[4-[11-phenyl-3-(4-pyridin-4-ylphenyl)-11H-benzo[a]fluoren-9-yl]phenyl]pyridine
CID 150630913
2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane
CID 24827960
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
2,7,9-trimethoxy-9H-fluorene
CID 155898925
1-fluoro-9-(4-methoxyphenyl)-9H-fluorene
CID 135061174
9-methoxy-11H-benzo[a]fluorene
CID 13401823
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11-phenyl-11H-benzo[a]fluorene?
The IUPAC name of 9-methoxy-11-phenyl-11H-benzo[a]fluorene (CID 121348426) is 9-methoxy-11-phenyl-11H-benzo[a]fluorene.
What is the SMILES notation for 9-methoxy-11-phenyl-11H-benzo[a]fluorene?
The canonical SMILES for 9-methoxy-11-phenyl-11H-benzo[a]fluorene is COc1ccc2c(c1)C(c1ccccc1)c1c-2ccc2ccccc12.
What is the InChIKey of 9-methoxy-11-phenyl-11H-benzo[a]fluorene?
The InChIKey is AVJRGKQOSZJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c1-25-18-12-14-20-21-13-11-16-7-5-6-10-19(16)24(21)23(22(20)15-18)17-8-3-2-4-9-17/h2-15,23H,1H3.
What are the key properties of 9-methoxy-11-phenyl-11H-benzo[a]fluorene?
9-methoxy-11-phenyl-11H-benzo[a]fluorene has a molecular weight of 322.41 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11-phenyl-11H-benzo[a]fluorene is sourced from PubChem (CID 121348426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).