2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine

C90H52F6N4O4 — CID 155305591

IUPAC2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cc(-c5cccc(-c6nc(-c7ccc(-c8ccccn8)cc7)nc(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)ccc43)c2)cc1
InChIInChI=1S/C90H52F6N4O4/c91-89(92,93)103-65-38-31-53(32-39-65)62-47-63(54-33-40-66(41-34-54)104-90(94,95)96)49-64(48-62)59-36-43-77-82(51-59)101-81-26-10-8-23-76(81)88(77)73-21-6-3-18-69(73)70-50-58(35-42-74(70)88)57-14-13-15-60(46-57)85-98-84(56-29-27-55(28-30-56)79-24-11-12-45-97-79)99-86(100-85)61-37-44-78-83(52-61)102-80-25-9-7-22-75(80)87(78)71-19-4-1-16-67(71)68-17-2-5-20-72(68)87/h1-52H
InChIKeyQHNRJDRBVYZMLP-UHFFFAOYSA-N
MW1367.42 g/mol
LogP23.34
Rot. Bonds10

About 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine

2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (PubChem CID 155305591) has the molecular formula C90H52F6N4O4 and a molecular weight of 1367.42 g/mol. Its IUPAC name is 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
PubChem CID155305591
Molecular FormulaC90H52F6N4O4
Molecular Weight1367.42 g/mol
Exact Mass1366.39
IUPAC Name2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine
SMILESFC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cc(-c5cccc(-c6nc(-c7ccc(-c8ccccn8)cc7)nc(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)ccc43)c2)cc1
InChIInChI=1S/C90H52F6N4O4/c91-89(92,93)103-65-38-31-53(32-39-65)62-47-63(54-33-40-66(41-34-54)104-90(94,95)96)49-64(48-62)59-36-43-77-82(51-59)101-81-26-10-8-23-76(81)88(77)73-21-6-3-18-69(73)70-50-58(35-42-74(70)88)57-14-13-15-60(46-57)85-98-84(56-29-27-55(28-30-56)79-24-11-12-45-97-79)99-86(100-85)61-37-44-78-83(52-61)102-80-25-9-7-22-75(80)87(78)71-19-4-1-16-67(71)68-17-2-5-20-72(68)87/h1-52H
InChIKeyQHNRJDRBVYZMLP-UHFFFAOYSA-N
XLogP23.34
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.42
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The IUPAC name of 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine (CID 155305591) is 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is FC(F)(F)Oc1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cc(-c5cccc(-c6nc(-c7ccc(-c8ccccn8)cc7)nc(-c7ccc8c(c7)Oc7ccccc7C87c8ccccc8-c8ccccc87)n6)c5)ccc43)c2)cc1.
What is the InChIKey of 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
The InChIKey is QHNRJDRBVYZMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H52F6N4O4/c91-89(92,93)103-65-38-31-53(32-39-65)62-47-63(54-33-40-66(41-34-54)104-90(94,95)96)49-64(48-62)59-36-43-77-82(51-59)101-81-26-10-8-23-76(81)88(77)73-21-6-3-18-69(73)70-50-58(35-42-74(70)88)57-14-13-15-60(46-57)85-98-84(56-29-27-55(28-30-56)79-24-11-12-45-97-79)99-86(100-85)61-37-44-78-83(52-61)102-80-25-9-7-22-75(80)87(78)71-19-4-1-16-67(71)68-17-2-5-20-72(68)87/h1-52H.
What are the key properties of 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine?
2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine has a molecular weight of 1367.42 g/mol, XLogP of 23.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3'-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 155305591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).