5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene

C64H38 — CID 58435252

IUPAC5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4cccc5cccc-6c45)cc4cccc-3c24)cc1
InChIInChI=1S/C64H38/c1-5-18-40(19-6-1)57-47-29-13-14-30-48(47)58(41-20-7-2-8-21-41)64-54-38-46(36-45-28-17-33-52(56(45)54)62(57)64)44-34-35-49-53(37-44)60(43-24-11-4-12-25-43)63-51-32-16-27-39-26-15-31-50(55(39)51)61(63)59(49)42-22-9-3-10-23-42/h1-38H
InChIKeyQPQAOQJTYNFLGW-UHFFFAOYSA-N
MW807.01 g/mol
LogP17.93
Rot. Bonds5

About 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene

5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58435252) has the molecular formula C64H38 and a molecular weight of 807.01 g/mol. Its IUPAC name is 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58435252
Molecular FormulaC64H38
Molecular Weight807.01 g/mol
Exact Mass806.30
IUPAC Name5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4cccc5cccc-6c45)cc4cccc-3c24)cc1
InChIInChI=1S/C64H38/c1-5-18-40(19-6-1)57-47-29-13-14-30-48(47)58(41-20-7-2-8-21-41)64-54-38-46(36-45-28-17-33-52(56(45)54)62(57)64)44-34-35-49-53(37-44)60(43-24-11-4-12-25-43)63-51-32-16-27-39-26-15-31-50(55(39)51)61(63)59(49)42-22-9-3-10-23-42/h1-38H
InChIKeyQPQAOQJTYNFLGW-UHFFFAOYSA-N
XLogP17.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
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
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
2-(9,10-diphenylanthracen-2-yl)-5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-1H-pyrrole
CID 58535110
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
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
7,12-bis(4-ethoxyphenyl)-9-phenylbenzo[k]fluoranthene
CID 157244070
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764

Frequently Asked Questions

What is the IUPAC name of 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene (CID 58435252) is 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4cccc5cccc-6c45)cc4cccc-3c24)cc1.
What is the InChIKey of 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is QPQAOQJTYNFLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38/c1-5-18-40(19-6-1)57-47-29-13-14-30-48(47)58(41-20-7-2-8-21-41)64-54-38-46(36-45-28-17-33-52(56(45)54)62(57)64)44-34-35-49-53(37-44)60(43-24-11-4-12-25-43)63-51-32-16-27-39-26-15-31-50(55(39)51)61(63)59(49)42-22-9-3-10-23-42/h1-38H.
What are the key properties of 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene?
5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 807.01 g/mol, XLogP of 17.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,12-diphenylbenzo[k]fluoranthen-9-yl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58435252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).