3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene

C104H68 — CID 161477289

IUPAC3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
SMILESCc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(C)c1-c1ccc2c3c(cccc13)-c1ccccc1-2.c1ccc(-c2c(-c3ccccc3)c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C62H38.C42H30/c1-5-19-39(20-6-1)55-56(40-21-7-2-8-22-40)62(54-38-36-52-46-30-16-14-28-44(46)48-32-18-34-50(54)60(48)52)58(42-25-11-4-12-26-42)57(41-23-9-3-10-24-41)61(55)53-37-35-51-45-29-15-13-27-43(45)47-31-17-33-49(53)59(47)51;1-23-24(2)40(38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36)26(4)25(3)39(23)37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35/h1-38H;5-22H,1-4H3
InChIKeyWDWPAOXDJBOBBO-UHFFFAOYSA-N
MW1317.69 g/mol
LogP29.15
Rot. Bonds8

About 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene

3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene (PubChem CID 161477289) has the molecular formula C104H68 and a molecular weight of 1317.69 g/mol. Its IUPAC name is 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene.

Molecular Properties

Compound Name3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
PubChem CID161477289
Molecular FormulaC104H68
Molecular Weight1317.69 g/mol
Exact Mass1316.53
IUPAC Name3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
SMILESCc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(C)c1-c1ccc2c3c(cccc13)-c1ccccc1-2.c1ccc(-c2c(-c3ccccc3)c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C62H38.C42H30/c1-5-19-39(20-6-1)55-56(40-21-7-2-8-22-40)62(54-38-36-52-46-30-16-14-28-44(46)48-32-18-34-50(54)60(48)52)58(42-25-11-4-12-26-42)57(41-23-9-3-10-24-41)61(55)53-37-35-51-45-29-15-13-27-43(45)47-31-17-33-49(53)59(47)51;1-23-24(2)40(38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36)26(4)25(3)39(23)37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35/h1-38H;5-22H,1-4H3
InChIKeyWDWPAOXDJBOBBO-UHFFFAOYSA-N
XLogP29.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.69
LogP ≤ 529.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
CID 59728635
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-[10-[4-(3-methylphenyl)phenyl]anthracen-9-yl]fluoranthene
CID 143240053
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
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-methylphenyl)fluoranthene
CID 123478210
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
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
7,8,9,10-tetraphenyl-3-[7-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 59805110
1,2,3,4-tetraphenyltetraphenylene
CID 12596759

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene?
The IUPAC name of 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene (CID 161477289) is 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene.
What is the SMILES notation for 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene?
The canonical SMILES for 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene is Cc1c(C)c(-c2ccc3c4c(cccc24)-c2ccccc2-3)c(C)c(C)c1-c1ccc2c3c(cccc13)-c1ccccc1-2.c1ccc(-c2c(-c3ccccc3)c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene?
The InChIKey is WDWPAOXDJBOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38.C42H30/c1-5-19-39(20-6-1)55-56(40-21-7-2-8-22-40)62(54-38-36-52-46-30-16-14-28-44(46)48-32-18-34-50(54)60(48)52)58(42-25-11-4-12-26-42)57(41-23-9-3-10-24-41)61(55)53-37-35-51-45-29-15-13-27-43(45)47-31-17-33-49(53)59(47)51;1-23-24(2)40(38-22-20-36-30-14-8-6-12-28(30)32-16-10-18-34(38)42(32)36)26(4)25(3)39(23)37-21-19-35-29-13-7-5-11-27(29)31-15-9-17-33(37)41(31)35/h1-38H;5-22H,1-4H3.
What are the key properties of 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene?
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene has a molecular weight of 1317.69 g/mol, XLogP of 29.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene is sourced from PubChem (CID 161477289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).