12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene

C76H46 — CID 58988853

IUPAC12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7ccccc7c6-c6ccccc6)ccc-4c35)cc2)cc1
InChIInChI=1S/C76H46/c1-5-19-47(20-6-1)49-35-39-53(40-36-49)69-61-29-15-13-27-59(61)67(51-23-9-3-10-24-51)73-63-33-17-31-57-55(43-45-65(71(57)63)75(69)73)56-44-46-66-72-58(56)32-18-34-64(72)74-68(52-25-11-4-12-26-52)60-28-14-16-30-62(60)70(76(66)74)54-41-37-50(38-42-54)48-21-7-2-8-22-48/h1-46H
InChIKeyIHHZYOQVAIEJKA-UHFFFAOYSA-N
MW959.20 g/mol
LogP21.26
Rot. Bonds7

About 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene (PubChem CID 58988853) has the molecular formula C76H46 and a molecular weight of 959.20 g/mol. Its IUPAC name is 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene.

Molecular Properties

Compound Name12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
PubChem CID58988853
Molecular FormulaC76H46
Molecular Weight959.20 g/mol
Exact Mass958.36
IUPAC Name12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7ccccc7c6-c6ccccc6)ccc-4c35)cc2)cc1
InChIInChI=1S/C76H46/c1-5-19-47(20-6-1)49-35-39-53(40-36-49)69-61-29-15-13-27-59(61)67(51-23-9-3-10-24-51)73-63-33-17-31-57-55(43-45-65(71(57)63)75(69)73)56-44-46-66-72-58(56)32-18-34-64(72)74-68(52-25-11-4-12-26-52)60-28-14-16-30-62(60)70(76(66)74)54-41-37-50(38-42-54)48-21-7-2-8-22-48/h1-46H
InChIKeyIHHZYOQVAIEJKA-UHFFFAOYSA-N
XLogP21.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.20
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)-2,1,3-benzothiadiazole
CID 58988854
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
CID 90209671
ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988793

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The IUPAC name of 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene (CID 58988853) is 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene.
What is the SMILES notation for 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The canonical SMILES for 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene is c1ccc(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)-c3cccc5c(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(-c8ccccc8)cc7)c7ccccc7c6-c6ccccc6)ccc-4c35)cc2)cc1.
What is the InChIKey of 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
The InChIKey is IHHZYOQVAIEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46/c1-5-19-47(20-6-1)49-35-39-53(40-36-49)69-61-29-15-13-27-59(61)67(51-23-9-3-10-24-51)73-63-33-17-31-57-55(43-45-65(71(57)63)75(69)73)56-44-46-66-72-58(56)32-18-34-64(72)74-68(52-25-11-4-12-26-52)60-28-14-16-30-62(60)70(76(66)74)54-41-37-50(38-42-54)48-21-7-2-8-22-48/h1-46H.
What are the key properties of 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene?
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene has a molecular weight of 959.20 g/mol, XLogP of 21.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene is sourced from PubChem (CID 58988853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).