7,10-diphenyl-8-(4-phenylphenyl)fluoranthene

C40H26 — CID 59844130

IUPAC7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C40H26/c1-4-12-27(13-5-1)28-22-24-30(25-23-28)35-26-36(29-14-6-2-7-15-29)39-33-20-10-18-31-19-11-21-34(37(31)33)40(39)38(35)32-16-8-3-9-17-32/h1-26H
InChIKeyLWJABAQZNRXIRQ-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.16
Rot. Bonds4

About 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene (PubChem CID 59844130) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene.

Molecular Properties

Compound Name7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
PubChem CID59844130
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C40H26/c1-4-12-27(13-5-1)28-22-24-30(25-23-28)35-26-36(29-14-6-2-7-15-29)39-33-20-10-18-31-19-11-21-34(37(31)33)40(39)38(35)32-16-8-3-9-17-32/h1-26H
InChIKeyLWJABAQZNRXIRQ-UHFFFAOYSA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene?
The IUPAC name of 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene (CID 59844130) is 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene.
What is the SMILES notation for 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene?
The canonical SMILES for 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene is c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1.
What is the InChIKey of 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene?
The InChIKey is LWJABAQZNRXIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-4-12-27(13-5-1)28-22-24-30(25-23-28)35-26-36(29-14-6-2-7-15-29)39-33-20-10-18-31-19-11-21-34(37(31)33)40(39)38(35)32-16-8-3-9-17-32/h1-26H.
What are the key properties of 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene?
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene has a molecular weight of 506.65 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diphenyl-8-(4-phenylphenyl)fluoranthene is sourced from PubChem (CID 59844130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).