3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene

C72H44 — CID 58988912

IUPAC3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2-c2ccccc2)-c2ccc(-c3ccc5c6c(cccc36)-c3c(-c6ccccc6)ccc(-c6ccccc6)c3-5)c3cccc-4c23)cc1
InChIInChI=1S/C72H44/c1-7-21-45(22-8-1)51-37-38-52(46-23-9-2-10-24-46)70-59-41-39-53(55-33-19-35-57(67(55)59)69(51)70)54-40-42-60-68-56(54)34-20-36-58(68)71-65(49-29-15-5-16-30-49)63-43-61(47-25-11-3-12-26-47)62(48-27-13-4-14-28-48)44-64(63)66(72(60)71)50-31-17-6-18-32-50/h1-44H
InChIKeyRWUAFNZXBADKMI-UHFFFAOYSA-N
MW909.14 g/mol
LogP20.11
Rot. Bonds7

About 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene

3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene (PubChem CID 58988912) has the molecular formula C72H44 and a molecular weight of 909.14 g/mol. Its IUPAC name is 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
PubChem CID58988912
Molecular FormulaC72H44
Molecular Weight909.14 g/mol
Exact Mass908.34
IUPAC Name3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
SMILESc1ccc(-c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2-c2ccccc2)-c2ccc(-c3ccc5c6c(cccc36)-c3c(-c6ccccc6)ccc(-c6ccccc6)c3-5)c3cccc-4c23)cc1
InChIInChI=1S/C72H44/c1-7-21-45(22-8-1)51-37-38-52(46-23-9-2-10-24-46)70-59-41-39-53(55-33-19-35-57(67(55)59)69(51)70)54-40-42-60-68-56(54)34-20-36-58(68)71-65(49-29-15-5-16-30-49)63-43-61(47-25-11-3-12-26-47)62(48-27-13-4-14-28-48)44-64(63)66(72(60)71)50-31-17-6-18-32-50/h1-44H
InChIKeyRWUAFNZXBADKMI-UHFFFAOYSA-N
XLogP20.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.14
LogP ≤ 520.11
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
3,6,7,10,17,20,21,24-octakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722746
3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;9,10,12-triphenyl-7-(2-phenylphenyl)-4-[7-phenyl-10-(2-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene
CID 158405519
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;3-fluoranthen-3-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 158336338
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;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-ylbenzo[k]fluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[9,10,12-triphenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 162198422
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-(7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-7,12-dinaphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthene;3-(7,10-diphenylfluoranthen-3-yl)-7,12-diphenylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-12-naphthalen-2-yl-9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene;7-phenyl-4-(7-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 158327029
3-[7,10-bis(2-phenylphenyl)fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(2-phenylphenyl)benzo[k]fluoranthene;3-(7,10-dinaphthalen-1-ylfluoranthen-3-yl)-7,12-dinaphthalen-1-ylbenzo[k]fluoranthene;7-naphthalen-1-yl-12-naphthalen-2-yl-3-(7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthen-3-yl)benzo[k]fluoranthene;9,10,12-triphenyl-7-(4-phenylphenyl)-4-[7-phenyl-10-(4-phenylphenyl)fluoranthen-3-yl]benzo[k]fluoranthene
CID 158693129
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988793

Frequently Asked Questions

What is the IUPAC name of 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene?
The IUPAC name of 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene (CID 58988912) is 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene is c1ccc(-c2cc3c(-c4ccccc4)c4c(c(-c5ccccc5)c3cc2-c2ccccc2)-c2ccc(-c3ccc5c6c(cccc36)-c3c(-c6ccccc6)ccc(-c6ccccc6)c3-5)c3cccc-4c23)cc1.
What is the InChIKey of 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene?
The InChIKey is RWUAFNZXBADKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44/c1-7-21-45(22-8-1)51-37-38-52(46-23-9-2-10-24-46)70-59-41-39-53(55-33-19-35-57(67(55)59)69(51)70)54-40-42-60-68-56(54)34-20-36-58(68)71-65(49-29-15-5-16-30-49)63-43-61(47-25-11-3-12-26-47)62(48-27-13-4-14-28-48)44-64(63)66(72(60)71)50-31-17-6-18-32-50/h1-44H.
What are the key properties of 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene?
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene has a molecular weight of 909.14 g/mol, XLogP of 20.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58988912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).