3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene

C43H28 — CID 143240053

IUPAC3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
SMILESCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc2)c1
InChIInChI=1S/C43H28/c1-27-10-8-11-30(26-27)28-20-22-29(23-21-28)41-34-14-4-6-16-36(34)43(37-17-7-5-15-35(37)41)40-25-24-39-32-13-3-2-12-31(32)33-18-9-19-38(40)42(33)39/h2-26H,1H3
InChIKeyCJCGPHMAANYRKK-UHFFFAOYSA-N
MW544.70 g/mol
LogP12.10
Rot. Bonds3

About 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene

3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene (PubChem CID 143240053) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
PubChem CID143240053
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
SMILESCc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc2)c1
InChIInChI=1S/C43H28/c1-27-10-8-11-30(26-27)28-20-22-29(23-21-28)41-34-14-4-6-16-36(34)43(37-17-7-5-15-35(37)41)40-25-24-39-32-13-3-2-12-31(32)33-18-9-19-38(40)42(33)39/h2-26H,1H3
InChIKeyCJCGPHMAANYRKK-UHFFFAOYSA-N
XLogP12.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)fluoranthene
CID 123478210
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
17-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762708
7,12-bis(3,5-dimethylphenyl)-3,9-bis(3-methylphenyl)benzo[k]fluoranthene
CID 157207243
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
CID 58323659
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
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
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277

Frequently Asked Questions

What is the IUPAC name of 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene?
The IUPAC name of 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene (CID 143240053) is 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene.
What is the SMILES notation for 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene?
The canonical SMILES for 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene is Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)cc2)c1.
What is the InChIKey of 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene?
The InChIKey is CJCGPHMAANYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-27-10-8-11-30(26-27)28-20-22-29(23-21-28)41-34-14-4-6-16-36(34)43(37-17-7-5-15-35(37)41)40-25-24-39-32-13-3-2-12-31(32)33-18-9-19-38(40)42(33)39/h2-26H,1H3.
What are the key properties of 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene?
3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene has a molecular weight of 544.70 g/mol, XLogP of 12.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene is sourced from PubChem (CID 143240053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).