2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine

C105H68N4O3S — CID 139307255

IUPAC2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine
SMILESCc1ccc2c(c1)oc1c(-c3nc(-c4ccc(-c5cccc6c5sc5cccc(-c7c(C)c(C)c(-c8cc(-c9ccccc9)nc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10Oc%10ccccc%109)n8)c(C)c7C)c56)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12
InChIInChI=1S/C105H68N4O3S/c1-59-50-55-68-69-31-22-36-76(100(69)112-93(68)56-59)103-107-85(57-87(108-103)72-32-23-43-83-97(72)70-28-9-11-37-77(70)104(83)79-39-13-17-45-89(79)110-90-46-18-14-40-80(90)104)66-53-51-64(52-54-66)67-30-21-34-74-99-73(33-25-49-94(99)113-101(67)74)95-60(2)62(4)96(63(5)61(95)3)88-58-86(65-26-7-6-8-27-65)106-102(109-88)75-35-24-44-84-98(75)71-29-10-12-38-78(71)105(84)81-41-15-19-47-91(81)111-92-48-20-16-42-82(92)105/h6-58H,1-5H3
InChIKeyJTNZHIWCHAOKBG-UHFFFAOYSA-N
MW1465.79 g/mol
LogP27.35
Rot. Bonds8

About 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine

2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine (PubChem CID 139307255) has the molecular formula C105H68N4O3S and a molecular weight of 1465.79 g/mol. Its IUPAC name is 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine
PubChem CID139307255
Molecular FormulaC105H68N4O3S
Molecular Weight1465.79 g/mol
Exact Mass1464.50
IUPAC Name2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine
SMILESCc1ccc2c(c1)oc1c(-c3nc(-c4ccc(-c5cccc6c5sc5cccc(-c7c(C)c(C)c(-c8cc(-c9ccccc9)nc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10Oc%10ccccc%109)n8)c(C)c7C)c56)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12
InChIInChI=1S/C105H68N4O3S/c1-59-50-55-68-69-31-22-36-76(100(69)112-93(68)56-59)103-107-85(57-87(108-103)72-32-23-43-83-97(72)70-28-9-11-37-77(70)104(83)79-39-13-17-45-89(79)110-90-46-18-14-40-80(90)104)66-53-51-64(52-54-66)67-30-21-34-74-99-73(33-25-49-94(99)113-101(67)74)95-60(2)62(4)96(63(5)61(95)3)88-58-86(65-26-7-6-8-27-65)106-102(109-88)75-35-24-44-84-98(75)71-29-10-12-38-78(71)105(84)81-41-15-19-47-91(81)111-92-48-20-16-42-82(92)105/h6-58H,1-5H3
InChIKeyJTNZHIWCHAOKBG-UHFFFAOYSA-N
XLogP27.35
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001465.79
LogP ≤ 527.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine with MolForge

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Related Compounds

4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-(2,3,5,6-tetramethyl-4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)pyrimidine;2-(7-methyldibenzofuran-4-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 160817880
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356601
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 161372261
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 159873273
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 162175843
4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 158557851
14-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165075987

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine?
The IUPAC name of 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine (CID 139307255) is 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine.
What is the SMILES notation for 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine?
The canonical SMILES for 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine is Cc1ccc2c(c1)oc1c(-c3nc(-c4ccc(-c5cccc6c5sc5cccc(-c7c(C)c(C)c(-c8cc(-c9ccccc9)nc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10Oc%10ccccc%109)n8)c(C)c7C)c56)cc4)cc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cccc12.
What is the InChIKey of 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine?
The InChIKey is JTNZHIWCHAOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H68N4O3S/c1-59-50-55-68-69-31-22-36-76(100(69)112-93(68)56-59)103-107-85(57-87(108-103)72-32-23-43-83-97(72)70-28-9-11-37-77(70)104(83)79-39-13-17-45-89(79)110-90-46-18-14-40-80(90)104)66-53-51-64(52-54-66)67-30-21-34-74-99-73(33-25-49-94(99)113-101(67)74)95-60(2)62(4)96(63(5)61(95)3)88-58-86(65-26-7-6-8-27-65)106-102(109-88)75-35-24-44-84-98(75)71-29-10-12-38-78(71)105(84)81-41-15-19-47-91(81)111-92-48-20-16-42-82(92)105/h6-58H,1-5H3.
What are the key properties of 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine?
2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine has a molecular weight of 1465.79 g/mol, XLogP of 27.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyldibenzofuran-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[9-[2,3,5,6-tetramethyl-4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]pyrimidine is sourced from PubChem (CID 139307255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).