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

C35H24 — CID 58995610

IUPAC8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
SMILESCc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc-2c13
InChIInChI=1S/C35H24/c1-23-10-19-30-33-21-20-29(31-8-5-9-32(35(31)33)34(30)22-23)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-6-3-2-4-7-24/h2-22H,1H3
InChIKeyCRCAUMJGQMRSBJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP9.80
Rot. Bonds3

About 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene

8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene (PubChem CID 58995610) has the molecular formula C35H24 and a molecular weight of 444.58 g/mol. Its IUPAC name is 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene.

Molecular Properties

Compound Name8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
PubChem CID58995610
Molecular FormulaC35H24
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Name8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
SMILESCc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc-2c13
InChIInChI=1S/C35H24/c1-23-10-19-30-33-21-20-29(31-8-5-9-32(35(31)33)34(30)22-23)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-6-3-2-4-7-24/h2-22H,1H3
InChIKeyCRCAUMJGQMRSBJ-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3-methylphenyl)fluoranthene
CID 123478210
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
CID 143240053
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
5,13-di(fluoranthen-3-yl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156188

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene?
The IUPAC name of 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene (CID 58995610) is 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene.
What is the SMILES notation for 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene?
The canonical SMILES for 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene is Cc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc-2c13.
What is the InChIKey of 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene?
The InChIKey is CRCAUMJGQMRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24/c1-23-10-19-30-33-21-20-29(31-8-5-9-32(35(31)33)34(30)22-23)28-17-15-27(16-18-28)26-13-11-25(12-14-26)24-6-3-2-4-7-24/h2-22H,1H3.
What are the key properties of 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene?
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene has a molecular weight of 444.58 g/mol, XLogP of 9.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene is sourced from PubChem (CID 58995610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).