7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine

C164H104F6N2 — CID 158342695

IUPAC7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.FC(F)(F)c1ccc(-c2c3c(c(-c4ccc(C(F)(F)F)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1
InChIInChI=1S/C58H34N2.C56H44.C50H26F6/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52;1-55(2,3)35-25-21-33(22-26-35)49-44-15-9-10-16-45(44)50(34-23-27-36(28-24-34)56(4,5)6)54-48-32-30-40(43-19-12-20-47(52(43)48)53(49)54)39-29-31-46-38-14-8-7-13-37(38)41-17-11-18-42(39)51(41)46;51-49(52,53)29-19-15-27(16-20-29)43-38-9-3-4-10-39(38)44(28-17-21-30(22-18-28)50(54,55)56)48-42-26-24-34(37-13-6-14-41(46(37)42)47(43)48)33-23-25-40-32-8-2-1-7-31(32)35-11-5-12-36(33)45(35)40/h1-34H;7-32H,1-6H3;1-26H
InChIKeyGRISWZNBQNPYTR-UHFFFAOYSA-N
MW2216.64 g/mol
LogP47.08
Rot. Bonds11

About 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine

7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine (PubChem CID 158342695) has the molecular formula C164H104F6N2 and a molecular weight of 2216.64 g/mol. Its IUPAC name is 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine.

Molecular Properties

Compound Name7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
PubChem CID158342695
Molecular FormulaC164H104F6N2
Molecular Weight2216.64 g/mol
Exact Mass2214.81
IUPAC Name7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.FC(F)(F)c1ccc(-c2c3c(c(-c4ccc(C(F)(F)F)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1
InChIInChI=1S/C58H34N2.C56H44.C50H26F6/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52;1-55(2,3)35-25-21-33(22-26-35)49-44-15-9-10-16-45(44)50(34-23-27-36(28-24-34)56(4,5)6)54-48-32-30-40(43-19-12-20-47(52(43)48)53(49)54)39-29-31-46-38-14-8-7-13-37(38)41-17-11-18-42(39)51(41)46;51-49(52,53)29-19-15-27(16-20-29)43-38-9-3-4-10-39(38)44(28-17-21-30(22-18-28)50(54,55)56)48-42-26-24-34(37-13-6-14-41(46(37)42)47(43)48)33-23-25-40-32-8-2-1-7-31(32)35-11-5-12-36(33)45(35)40/h1-34H;7-32H,1-6H3;1-26H
InChIKeyGRISWZNBQNPYTR-UHFFFAOYSA-N
XLogP47.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002216.64
LogP ≤ 547.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The IUPAC name of 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine (CID 158342695) is 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine.
What is the SMILES notation for 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The canonical SMILES for 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine is CC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.FC(F)(F)c1ccc(-c2c3c(c(-c4ccc(C(F)(F)F)cc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.c1ccc(-c2cccc(-c3c4c(c(-c5cccc(-c6ccccn6)c5)c5ccccc35)-c3ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cccc-4c35)c2)nc1.
What is the InChIKey of 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
The InChIKey is GRISWZNBQNPYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2.C56H44.C50H26F6/c1-2-18-40-39(17-1)43-21-11-22-44-41(27-29-48(40)55(43)44)42-28-30-50-56-45(42)23-12-24-49(56)57-53(37-15-9-13-35(33-37)51-25-5-7-31-59-51)46-19-3-4-20-47(46)54(58(50)57)38-16-10-14-36(34-38)52-26-6-8-32-60-52;1-55(2,3)35-25-21-33(22-26-35)49-44-15-9-10-16-45(44)50(34-23-27-36(28-24-34)56(4,5)6)54-48-32-30-40(43-19-12-20-47(52(43)48)53(49)54)39-29-31-46-38-14-8-7-13-37(38)41-17-11-18-42(39)51(41)46;51-49(52,53)29-19-15-27(16-20-29)43-38-9-3-4-10-39(38)44(28-17-21-30(22-18-28)50(54,55)56)48-42-26-24-34(37-13-6-14-41(46(37)42)47(43)48)33-23-25-40-32-8-2-1-7-31(32)35-11-5-12-36(33)45(35)40/h1-34H;7-32H,1-6H3;1-26H.
What are the key properties of 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine?
7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine has a molecular weight of 2216.64 g/mol, XLogP of 47.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-tert-butylphenyl)-3-fluoranthen-3-ylbenzo[k]fluoranthene;3-fluoranthen-3-yl-7,12-bis[4-(trifluoromethyl)phenyl]benzo[k]fluoranthene;2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine is sourced from PubChem (CID 158342695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).