5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene

C58H36 — CID 58535149

IUPAC5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-5-18-37(19-6-1)52-44-27-13-14-28-45(44)53(38-20-7-2-8-21-38)50-35-41(32-33-48(50)52)43-34-42-26-17-31-49-54(42)51(36-43)58-56(40-24-11-4-12-25-40)47-30-16-15-29-46(47)55(57(49)58)39-22-9-3-10-23-39/h1-36H
InChIKeyGQBAKANHNRKBIP-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.28
Rot. Bonds5

About 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene

5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58535149) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58535149
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-5-18-37(19-6-1)52-44-27-13-14-28-45(44)53(38-20-7-2-8-21-38)50-35-41(32-33-48(50)52)43-34-42-26-17-31-49-54(42)51(36-43)58-56(40-24-11-4-12-25-40)47-30-16-15-29-46(47)55(57(49)58)39-22-9-3-10-23-39/h1-36H
InChIKeyGQBAKANHNRKBIP-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 516.28
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

5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58435252
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
2-(9,10-diphenylanthracen-2-yl)-5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-1H-pyrrole
CID 58535110
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
19-naphthalen-1-yl-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309805
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
3,6,10,17,20,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4(9),5,7,10,12,14,16,18(23),19,21,24,26(30),27-pentadecaene
CID 140722752

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene (CID 58535149) is 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc4cccc-3c24)cc1.
What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is GQBAKANHNRKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-5-18-37(19-6-1)52-44-27-13-14-28-45(44)53(38-20-7-2-8-21-38)50-35-41(32-33-48(50)52)43-34-42-26-17-31-49-54(42)51(36-43)58-56(40-24-11-4-12-25-40)47-30-16-15-29-46(47)55(57(49)58)39-22-9-3-10-23-39/h1-36H.
What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 732.93 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58535149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).