3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene

C40H26 — CID 58995572

IUPAC3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)cc1
InChIInChI=1S/C40H26/c1-2-9-27(10-3-1)28-19-21-29(22-20-28)30-11-6-12-31(25-30)32-13-7-14-33(26-32)34-23-24-39-36-16-5-4-15-35(36)38-18-8-17-37(34)40(38)39/h1-26H
InChIKeyKFNHAANQIUAVNG-UHFFFAOYSA-N
MW506.65 g/mol
LogP11.16
Rot. Bonds4

About 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene

3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene (PubChem CID 58995572) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene.

Molecular Properties

Compound Name3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
PubChem CID58995572
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)cc1
InChIInChI=1S/C40H26/c1-2-9-27(10-3-1)28-19-21-29(22-20-28)30-11-6-12-31(25-30)32-13-7-14-33(26-32)34-23-24-39-36-16-5-4-15-35(36)38-18-8-17-37(34)40(38)39/h1-26H
InChIKeyKFNHAANQIUAVNG-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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Related Compounds

3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140710568
3-(3-methylphenyl)fluoranthene
CID 123478210
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene?
The IUPAC name of 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene (CID 58995572) is 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene.
What is the SMILES notation for 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene?
The canonical SMILES for 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene is c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene?
The InChIKey is KFNHAANQIUAVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-9-27(10-3-1)28-19-21-29(22-20-28)30-11-6-12-31(25-30)32-13-7-14-33(26-32)34-23-24-39-36-16-5-4-15-35(36)38-18-8-17-37(34)40(38)39/h1-26H.
What are the key properties of 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene?
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]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 3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene is sourced from PubChem (CID 58995572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).