7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene

C58H36 — CID 58535128

IUPAC7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-4-17-38(18-5-1)51-44-24-10-12-26-46(44)52(47-27-13-11-25-45(47)51)42-33-31-37(32-34-42)43-36-35-41-23-16-30-50-55(41)56(43)58-54(40-21-8-3-9-22-40)49-29-15-14-28-48(49)53(57(50)58)39-19-6-2-7-20-39/h1-36H
InChIKeySNCRYRZWQHLVBV-UHFFFAOYSA-N
MW732.93 g/mol
LogP16.28
Rot. Bonds5

About 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene

7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene (PubChem CID 58535128) has the molecular formula C58H36 and a molecular weight of 732.93 g/mol. Its IUPAC name is 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
PubChem CID58535128
Molecular FormulaC58H36
Molecular Weight732.93 g/mol
Exact Mass732.28
IUPAC Name7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc4cccc-3c24)cc1
InChIInChI=1S/C58H36/c1-4-17-38(18-5-1)51-44-24-10-12-26-46(44)52(47-27-13-11-25-45(47)51)42-33-31-37(32-34-42)43-36-35-41-23-16-30-50-55(41)56(43)58-54(40-21-8-3-9-22-40)49-29-15-14-28-48(49)53(57(50)58)39-19-6-2-7-20-39/h1-36H
InChIKeySNCRYRZWQHLVBV-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

6-(9,10-diphenylanthracen-1-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535115
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene?
The IUPAC name of 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene (CID 58535128) is 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene.
What is the SMILES notation for 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene?
The canonical SMILES for 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc4cccc-3c24)cc1.
What is the InChIKey of 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene?
The InChIKey is SNCRYRZWQHLVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36/c1-4-17-38(18-5-1)51-44-24-10-12-26-46(44)52(47-27-13-11-25-45(47)51)42-33-31-37(32-34-42)43-36-35-41-23-16-30-50-55(41)56(43)58-54(40-21-8-3-9-22-40)49-29-15-14-28-48(49)53(57(50)58)39-19-6-2-7-20-39/h1-36H.
What are the key properties of 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene?
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[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 7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene is sourced from PubChem (CID 58535128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).