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

C109H63N7O3S — CID 139306598

IUPAC2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3c(-c5ccc6c(c5)Oc5ccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccccc%11%10)c%10sc%11ccccc%11c9%10)n8)c7)cc5C65c6ccccc6-c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C109H63N7O3S/c1-3-25-64(26-4-1)102-111-104(115-106(113-102)82-55-54-79(101-98(82)81-37-10-18-51-96(81)120-101)76-39-23-48-90-97(76)80-36-9-13-45-86(80)109(90)87-46-14-16-49-92(87)117-93-50-17-15-47-88(93)109)70-31-19-29-66(59-70)68-53-57-94-91(61-68)108(84-43-11-7-34-74(84)75-35-8-12-44-85(75)108)89-56-52-69(62-95(89)118-94)73-38-21-40-77-78-41-22-42-83(100(78)119-99(73)77)107-114-103(65-27-5-2-6-28-65)112-105(116-107)71-32-20-30-67(60-71)72-33-24-58-110-63-72/h1-63H
InChIKeyFYNFSUNDROUBIV-UHFFFAOYSA-N
MW1550.82 g/mol
LogP27.33
Rot. Bonds10

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

2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 139306598) has the molecular formula C109H63N7O3S and a molecular weight of 1550.82 g/mol. Its IUPAC name is 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID139306598
Molecular FormulaC109H63N7O3S
Molecular Weight1550.82 g/mol
Exact Mass1549.47
IUPAC Name2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3c(-c5ccc6c(c5)Oc5ccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccccc%11%10)c%10sc%11ccccc%11c9%10)n8)c7)cc5C65c6ccccc6-c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C109H63N7O3S/c1-3-25-64(26-4-1)102-111-104(115-106(113-102)82-55-54-79(101-98(82)81-37-10-18-51-96(81)120-101)76-39-23-48-90-97(76)80-36-9-13-45-86(80)109(90)87-46-14-16-49-92(87)117-93-50-17-15-47-88(93)109)70-31-19-29-66(59-70)68-53-57-94-91(61-68)108(84-43-11-7-34-74(84)75-35-8-12-44-85(75)108)89-56-52-69(62-95(89)118-94)73-38-21-40-77-78-41-22-42-83(100(78)119-99(73)77)107-114-103(65-27-5-2-6-28-65)112-105(116-107)71-32-20-30-67(60-71)72-33-24-58-110-63-72/h1-63H
InChIKeyFYNFSUNDROUBIV-UHFFFAOYSA-N
XLogP27.33
TPSA121.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.82
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine (CID 139306598) is 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc4c3oc3c(-c5ccc6c(c5)Oc5ccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10cccc%11c%10-c%10ccccc%10C%11%10c%11ccccc%11Oc%11ccccc%11%10)c%10sc%11ccccc%11c9%10)n8)c7)cc5C65c6ccccc6-c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is FYNFSUNDROUBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H63N7O3S/c1-3-25-64(26-4-1)102-111-104(115-106(113-102)82-55-54-79(101-98(82)81-37-10-18-51-96(81)120-101)76-39-23-48-90-97(76)80-36-9-13-45-86(80)109(90)87-46-14-16-49-92(87)117-93-50-17-15-47-88(93)109)70-31-19-29-66(59-70)68-53-57-94-91(61-68)108(84-43-11-7-34-74(84)75-35-8-12-44-85(75)108)89-56-52-69(62-95(89)118-94)73-38-21-40-77-78-41-22-42-83(100(78)119-99(73)77)107-114-103(65-27-5-2-6-28-65)112-105(116-107)71-32-20-30-67(60-71)72-33-24-58-110-63-72/h1-63H.
What are the key properties of 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine?
2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 1550.82 g/mol, XLogP of 27.33, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-[6'-[6-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4-yldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 139306598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).