3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

C163H96N10OS4 — CID 139307475

IUPAC3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccc7c(c6)C6(c8ccccc8Sc8ccccc86)c6ccccc6-7)nc(-c6ccc7c(c6)sc6cc(-c8cccc(-c9nc(-c%10cc(-c%11ccccc%11)cc(-c%11cccc%12c%11oc%11ccccc%11%12)c%10)nc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12Sc%12ccccc%12%10)c%10ccccc%10-%11)n9)c8)ccc67)n5)c4)ccc2n3-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)n2)c1
InChIInChI=1S/C163H96N10OS4/c1-95-80-109(85-112(81-95)159-165-152(97-36-7-3-8-37-97)164-155(171-159)105-67-73-119-116-44-11-15-50-128(116)161(137(119)90-105)131-53-18-25-60-143(131)175-144-61-26-19-54-132(144)161)101-72-79-141-127(89-101)126-88-100(71-78-140(126)173(141)114-42-9-4-10-43-114)98-38-31-40-103(82-98)153-166-156(106-68-74-120-117-45-12-16-51-129(117)162(138(120)91-106)133-55-20-27-62-145(133)176-146-63-28-21-56-134(146)162)169-158(168-153)108-70-77-124-123-76-66-102(93-149(123)178-150(124)94-108)99-39-32-41-104(83-99)154-167-157(107-69-75-121-118-46-13-17-52-130(118)163(139(121)92-107)135-57-22-29-64-147(135)177-148-65-30-23-58-136(148)163)172-160(170-154)113-86-110(96-34-5-2-6-35-96)84-111(87-113)115-48-33-49-125-122-47-14-24-59-142(122)174-151(115)125/h2-94H,1H3
InChIKeyWKVAVKMEDQJJDF-UHFFFAOYSA-N
MW2338.90 g/mol
LogP41.74
Rot. Bonds15

About 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 139307475) has the molecular formula C163H96N10OS4 and a molecular weight of 2338.90 g/mol. Its IUPAC name is 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
PubChem CID139307475
Molecular FormulaC163H96N10OS4
Molecular Weight2338.90 g/mol
Exact Mass2336.67
IUPAC Name3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccc7c(c6)C6(c8ccccc8Sc8ccccc86)c6ccccc6-7)nc(-c6ccc7c(c6)sc6cc(-c8cccc(-c9nc(-c%10cc(-c%11ccccc%11)cc(-c%11cccc%12c%11oc%11ccccc%11%12)c%10)nc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12Sc%12ccccc%12%10)c%10ccccc%10-%11)n9)c8)ccc67)n5)c4)ccc2n3-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)n2)c1
InChIInChI=1S/C163H96N10OS4/c1-95-80-109(85-112(81-95)159-165-152(97-36-7-3-8-37-97)164-155(171-159)105-67-73-119-116-44-11-15-50-128(116)161(137(119)90-105)131-53-18-25-60-143(131)175-144-61-26-19-54-132(144)161)101-72-79-141-127(89-101)126-88-100(71-78-140(126)173(141)114-42-9-4-10-43-114)98-38-31-40-103(82-98)153-166-156(106-68-74-120-117-45-12-16-51-129(117)162(138(120)91-106)133-55-20-27-62-145(133)176-146-63-28-21-56-134(146)162)169-158(168-153)108-70-77-124-123-76-66-102(93-149(123)178-150(124)94-108)99-39-32-41-104(83-99)154-167-157(107-69-75-121-118-46-13-17-52-130(118)163(139(121)92-107)135-57-22-29-64-147(135)177-148-65-30-23-58-136(148)163)172-160(170-154)113-86-110(96-34-5-2-6-35-96)84-111(87-113)115-48-33-49-125-122-47-14-24-59-142(122)174-151(115)125/h2-94H,1H3
InChIKeyWKVAVKMEDQJJDF-UHFFFAOYSA-N
XLogP41.74
TPSA134.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.90
LogP ≤ 541.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 139307475) is 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is Cc1cc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccc7c(c6)C6(c8ccccc8Sc8ccccc86)c6ccccc6-7)nc(-c6ccc7c(c6)sc6cc(-c8cccc(-c9nc(-c%10cc(-c%11ccccc%11)cc(-c%11cccc%12c%11oc%11ccccc%11%12)c%10)nc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12Sc%12ccccc%12%10)c%10ccccc%10-%11)n9)c8)ccc67)n5)c4)ccc2n3-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)n2)c1.
What is the InChIKey of 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is WKVAVKMEDQJJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H96N10OS4/c1-95-80-109(85-112(81-95)159-165-152(97-36-7-3-8-37-97)164-155(171-159)105-67-73-119-116-44-11-15-50-128(116)161(137(119)90-105)131-53-18-25-60-143(131)175-144-61-26-19-54-132(144)161)101-72-79-141-127(89-101)126-88-100(71-78-140(126)173(141)114-42-9-4-10-43-114)98-38-31-40-103(82-98)153-166-156(106-68-74-120-117-45-12-16-51-129(117)162(138(120)91-106)133-55-20-27-62-145(133)176-146-63-28-21-56-134(146)162)169-158(168-153)108-70-77-124-123-76-66-102(93-149(123)178-150(124)94-108)99-39-32-41-104(83-99)154-167-157(107-69-75-121-118-46-13-17-52-130(118)163(139(121)92-107)135-57-22-29-64-147(135)177-148-65-30-23-58-136(148)163)172-160(170-154)113-86-110(96-34-5-2-6-35-96)84-111(87-113)115-48-33-49-125-122-47-14-24-59-142(122)174-151(115)125/h2-94H,1H3.
What are the key properties of 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 2338.90 g/mol, XLogP of 41.74, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[7-[3-[4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-6-[3-methyl-5-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 139307475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).