1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene

C30H22 — CID 87557291

IUPAC1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
SMILESCc1c(-c2cccc3c2Cc2ccccc2-3)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H22/c1-20-28(27-17-9-16-26-24-14-7-5-12-22(24)19-29(26)27)18-23-13-6-8-15-25(23)30(20)21-10-3-2-4-11-21/h2-18H,19H2,1H3
InChIKeyCUGSXSOJECKLQO-UHFFFAOYSA-N
MW382.51 g/mol
LogP8.05
Rot. Bonds2

About 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene

1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene (PubChem CID 87557291) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
PubChem CID87557291
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
SMILESCc1c(-c2cccc3c2Cc2ccccc2-3)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C30H22/c1-20-28(27-17-9-16-26-24-14-7-5-12-22(24)19-29(26)27)18-23-13-6-8-15-25(23)30(20)21-10-3-2-4-11-21/h2-18H,19H2,1H3
InChIKeyCUGSXSOJECKLQO-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene?
The IUPAC name of 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene (CID 87557291) is 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene.
What is the SMILES notation for 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene?
The canonical SMILES for 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene is Cc1c(-c2cccc3c2Cc2ccccc2-3)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene?
The InChIKey is CUGSXSOJECKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-20-28(27-17-9-16-26-24-14-7-5-12-22(24)19-29(26)27)18-23-13-6-8-15-25(23)30(20)21-10-3-2-4-11-21/h2-18H,19H2,1H3.
What are the key properties of 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene?
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene has a molecular weight of 382.51 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene is sourced from PubChem (CID 87557291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).