3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene

C69H42 — CID 58645140

IUPAC3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc6c(c5)Cc5cc(-c7ccc8c9c(cccc79)-c7c(-c9ccccc9)ccc(-c9ccccc9)c7-8)ccc5-6)ccc-3c24)cc1
InChIInChI=1S/C69H42/c1-5-15-42(16-6-1)54-33-35-56(44-19-9-3-10-20-44)68-62-37-31-50(58-23-13-25-60(64(58)62)66(54)68)46-27-29-52-48(39-46)41-49-40-47(28-30-53(49)52)51-32-38-63-65-59(51)24-14-26-61(65)67-55(43-17-7-2-8-18-43)34-36-57(69(63)67)45-21-11-4-12-22-45/h1-40H,41H2
InChIKeyVYUMOZOFXMSEOW-UHFFFAOYSA-N
MW871.10 g/mol
LogP18.86
Rot. Bonds6

About 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene

3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene (PubChem CID 58645140) has the molecular formula C69H42 and a molecular weight of 871.10 g/mol. Its IUPAC name is 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene.

Molecular Properties

Compound Name3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene
PubChem CID58645140
Molecular FormulaC69H42
Molecular Weight871.10 g/mol
Exact Mass870.33
IUPAC Name3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc6c(c5)Cc5cc(-c7ccc8c9c(cccc79)-c7c(-c9ccccc9)ccc(-c9ccccc9)c7-8)ccc5-6)ccc-3c24)cc1
InChIInChI=1S/C69H42/c1-5-15-42(16-6-1)54-33-35-56(44-19-9-3-10-20-44)68-62-37-31-50(58-23-13-25-60(64(58)62)66(54)68)46-27-29-52-48(39-46)41-49-40-47(28-30-53(49)52)51-32-38-63-65-59(51)24-14-26-61(65)67-55(43-17-7-2-8-18-43)34-36-57(69(63)67)45-21-11-4-12-22-45/h1-40H,41H2
InChIKeyVYUMOZOFXMSEOW-UHFFFAOYSA-N
XLogP18.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9-[2-(9H-fluoren-2-yl)-6-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 171447247
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847246
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
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
5-phenyl-2H-acenaphthylen-1-one
CID 86088693
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849

Frequently Asked Questions

What is the IUPAC name of 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene?
The IUPAC name of 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene (CID 58645140) is 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene.
What is the SMILES notation for 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene?
The canonical SMILES for 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene is c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(-c5ccc6c(c5)Cc5cc(-c7ccc8c9c(cccc79)-c7c(-c9ccccc9)ccc(-c9ccccc9)c7-8)ccc5-6)ccc-3c24)cc1.
What is the InChIKey of 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene?
The InChIKey is VYUMOZOFXMSEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42/c1-5-15-42(16-6-1)54-33-35-56(44-19-9-3-10-20-44)68-62-37-31-50(58-23-13-25-60(64(58)62)66(54)68)46-27-29-52-48(39-46)41-49-40-47(28-30-53(49)52)51-32-38-63-65-59(51)24-14-26-61(65)67-55(43-17-7-2-8-18-43)34-36-57(69(63)67)45-21-11-4-12-22-45/h1-40H,41H2.
What are the key properties of 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene?
3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene has a molecular weight of 871.10 g/mol, XLogP of 18.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(7,10-diphenylfluoranthen-3-yl)-9H-fluoren-2-yl]-7,10-diphenylfluoranthene is sourced from PubChem (CID 58645140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).