2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine

C141H84N6O4S — CID 146343297

IUPAC2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc%10c9Oc9ccccc9C%109c%10ccccc%10-c%10cc(-c%11ccc%12c(-c%13nc(-c%14ccccc%14)cc(-c%14ccccc%14)n%13)c(-c%13cccc%14c%13Oc%13ccccc%13C%14%13c%14ccccc%14-c%14ccccc%14%13)ccc%12c%11)ccc%109)s8)n7)cc6)ccc54)o3)n2)cc1
InChIInChI=1S/C141H84N6O4S/c1-6-33-86(34-7-1)119-82-120(87-35-8-2-9-36-87)143-136(142-119)129-76-75-125(148-129)103-48-31-58-117-134(103)150-127-61-28-25-55-114(127)140(117)109-52-22-18-45-99(109)105-80-93(69-73-111(105)140)85-63-65-91(66-64-85)124-83-121(88-37-10-3-11-38-88)144-137(145-124)131-78-77-130(152-131)104-49-32-59-118-135(104)151-128-62-29-26-56-115(128)141(118)110-53-23-19-46-100(110)106-81-94(70-74-112(106)141)92-67-71-96-95(79-92)68-72-101(132(96)138-146-122(89-39-12-4-13-40-89)84-123(147-138)90-41-14-5-15-42-90)102-47-30-57-116-133(102)149-126-60-27-24-54-113(126)139(116)107-50-20-16-43-97(107)98-44-17-21-51-108(98)139/h1-84H
InChIKeyYQOLAZGRUZVFSO-UHFFFAOYSA-N
MW1958.33 g/mol
LogP35.61
Rot. Bonds14

About 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine

2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine (PubChem CID 146343297) has the molecular formula C141H84N6O4S and a molecular weight of 1958.33 g/mol. Its IUPAC name is 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine
PubChem CID146343297
Molecular FormulaC141H84N6O4S
Molecular Weight1958.33 g/mol
Exact Mass1956.63
IUPAC Name2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc%10c9Oc9ccccc9C%109c%10ccccc%10-c%10cc(-c%11ccc%12c(-c%13nc(-c%14ccccc%14)cc(-c%14ccccc%14)n%13)c(-c%13cccc%14c%13Oc%13ccccc%13C%14%13c%14ccccc%14-c%14ccccc%14%13)ccc%12c%11)ccc%109)s8)n7)cc6)ccc54)o3)n2)cc1
InChIInChI=1S/C141H84N6O4S/c1-6-33-86(34-7-1)119-82-120(87-35-8-2-9-36-87)143-136(142-119)129-76-75-125(148-129)103-48-31-58-117-134(103)150-127-61-28-25-55-114(127)140(117)109-52-22-18-45-99(109)105-80-93(69-73-111(105)140)85-63-65-91(66-64-85)124-83-121(88-37-10-3-11-38-88)144-137(145-124)131-78-77-130(152-131)104-49-32-59-118-135(104)151-128-62-29-26-56-115(128)141(118)110-53-23-19-46-100(110)106-81-94(70-74-112(106)141)92-67-71-96-95(79-92)68-72-101(132(96)138-146-122(89-39-12-4-13-40-89)84-123(147-138)90-41-14-5-15-42-90)102-47-30-57-116-133(102)149-126-60-27-24-54-113(126)139(116)107-50-20-16-43-97(107)98-44-17-21-51-108(98)139/h1-84H
InChIKeyYQOLAZGRUZVFSO-UHFFFAOYSA-N
XLogP35.61
TPSA118.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.33
LogP ≤ 535.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine (CID 146343297) is 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5cc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cccc%10c9Oc9ccccc9C%109c%10ccccc%10-c%10cc(-c%11ccc%12c(-c%13nc(-c%14ccccc%14)cc(-c%14ccccc%14)n%13)c(-c%13cccc%14c%13Oc%13ccccc%13C%14%13c%14ccccc%14-c%14ccccc%14%13)ccc%12c%11)ccc%109)s8)n7)cc6)ccc54)o3)n2)cc1.
What is the InChIKey of 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine?
The InChIKey is YQOLAZGRUZVFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C141H84N6O4S/c1-6-33-86(34-7-1)119-82-120(87-35-8-2-9-36-87)143-136(142-119)129-76-75-125(148-129)103-48-31-58-117-134(103)150-127-61-28-25-55-114(127)140(117)109-52-22-18-45-99(109)105-80-93(69-73-111(105)140)85-63-65-91(66-64-85)124-83-121(88-37-10-3-11-38-88)144-137(145-124)131-78-77-130(152-131)104-49-32-59-118-135(104)151-128-62-29-26-56-115(128)141(118)110-53-23-19-46-100(110)106-81-94(70-74-112(106)141)92-67-71-96-95(79-92)68-72-101(132(96)138-146-122(89-39-12-4-13-40-89)84-123(147-138)90-41-14-5-15-42-90)102-47-30-57-116-133(102)149-126-60-27-24-54-113(126)139(116)107-50-20-16-43-97(107)98-44-17-21-51-108(98)139/h1-84H.
What are the key properties of 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine?
2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine has a molecular weight of 1958.33 g/mol, XLogP of 35.61, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4'-[5-[4-[4-[4'-[5-(4,6-diphenylpyrimidin-2-yl)furan-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-phenylpyrimidin-2-yl]thiophen-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylnaphthalen-1-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 146343297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).