4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine

C91H55N5O3 — CID 146343148

IUPAC4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ncccc7-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)o3)n2)cc1
InChIInChI=1S/C91H55N5O3/c1-4-21-57(22-5-1)77-54-78(58-23-6-2-7-24-58)94-88(93-77)68-31-20-50-92-87(68)63-44-47-85-76(53-63)91(71-34-16-12-29-66(71)67-30-13-17-35-72(67)91)74-51-61(42-45-83(74)99-85)56-38-40-60(41-39-56)80-55-79(59-25-8-3-9-26-59)95-89(96-80)86-49-48-81(97-86)62-43-46-84-75(52-62)90(73-36-18-19-37-82(73)98-84)69-32-14-10-27-64(69)65-28-11-15-33-70(65)90/h1-55H
InChIKeyZZISXUZMJPZNIK-UHFFFAOYSA-N
MW1266.47 g/mol
LogP22.20
Rot. Bonds9

About 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine

4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine (PubChem CID 146343148) has the molecular formula C91H55N5O3 and a molecular weight of 1266.47 g/mol. Its IUPAC name is 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine
PubChem CID146343148
Molecular FormulaC91H55N5O3
Molecular Weight1266.47 g/mol
Exact Mass1265.43
IUPAC Name4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ncccc7-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)o3)n2)cc1
InChIInChI=1S/C91H55N5O3/c1-4-21-57(22-5-1)77-54-78(58-23-6-2-7-24-58)94-88(93-77)68-31-20-50-92-87(68)63-44-47-85-76(53-63)91(71-34-16-12-29-66(71)67-30-13-17-35-72(67)91)74-51-61(42-45-83(74)99-85)56-38-40-60(41-39-56)80-55-79(59-25-8-3-9-26-59)95-89(96-80)86-49-48-81(97-86)62-43-46-84-75(52-62)90(73-36-18-19-37-82(73)98-84)69-32-14-10-27-64(69)65-28-11-15-33-70(65)90/h1-55H
InChIKeyZZISXUZMJPZNIK-UHFFFAOYSA-N
XLogP22.20
TPSA96.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.47
LogP ≤ 522.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine (CID 146343148) is 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6cc(-c7ncccc7-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc6O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)o3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine?
The InChIKey is ZZISXUZMJPZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55N5O3/c1-4-21-57(22-5-1)77-54-78(58-23-6-2-7-24-58)94-88(93-77)68-31-20-50-92-87(68)63-44-47-85-76(53-63)91(71-34-16-12-29-66(71)67-30-13-17-35-72(67)91)74-51-61(42-45-83(74)99-85)56-38-40-60(41-39-56)80-55-79(59-25-8-3-9-26-59)95-89(96-80)86-49-48-81(97-86)62-43-46-84-75(52-62)90(73-36-18-19-37-82(73)98-84)69-32-14-10-27-64(69)65-28-11-15-33-70(65)90/h1-55H.
What are the key properties of 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine?
4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine has a molecular weight of 1266.47 g/mol, XLogP of 22.20, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[2-[7'-[4-[6-phenyl-2-(5-spiro[fluorene-9,9'-xanthene]-2'-ylfuran-2-yl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 146343148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).