5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline

C297H194N18S6 — CID 163644755

IUPAC5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline
SMILESCC1(C)c2ccccc2-c2cc3ccccc3c(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6nc7c8ccccc8sc7c7ccccc67)cc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)cc(-c4cccc(-c5ccccc5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nc6c7ccccc7sc6c6ccccc56)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C52H35N3S.2C50H33N3S.C47H27N3S.C46H31N3S/c1-52(2)43-21-10-8-17-38(43)39-28-27-36(30-44(39)52)35-15-12-16-37(29-35)46-31-45(53-51(54-46)34-13-4-3-5-14-34)32-23-25-33(26-24-32)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-52(2)43-21-10-8-17-38(43)39-28-27-37(30-44(39)52)51-53-45(31-46(54-51)36-16-12-15-35(29-36)32-13-4-3-5-14-32)33-23-25-34(26-24-33)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-50(2)40-22-12-10-18-35(40)39-28-33-16-6-7-17-34(33)44(45(39)50)42-29-41(51-49(52-42)32-14-4-3-5-15-32)30-24-26-31(27-25-30)46-36-19-8-9-20-37(36)48-47(53-46)38-21-11-13-23-43(38)54-48;1-50(2)41-22-12-10-18-34(41)35-25-24-31(28-42(35)50)43-29-44(52-49(51-43)30-14-4-3-5-15-30)36-26-27-38(33-17-7-6-16-32(33)36)46-37-19-8-9-20-39(37)48-47(53-46)40-21-11-13-23-45(40)54-48;1-2-9-28(10-3-1)39-27-40(34-25-23-31-18-17-29-11-8-12-30-24-26-35(34)43(31)42(29)30)49-47(48-39)33-21-19-32(20-22-33)44-36-13-4-5-14-37(36)46-45(50-44)38-15-6-7-16-41(38)51-46;1-46(2)37-21-10-8-17-32(37)33-24-23-31(26-38(33)46)45-47-39(28-13-4-3-5-14-28)27-40(48-45)29-15-12-16-30(25-29)42-34-18-6-7-19-35(34)44-43(49-42)36-20-9-11-22-41(36)50-44/h2*3-31H,1-2H3;2*3-29H,1-2H3;1-27H;3-27H,1-2H3
InChIKeyIHHOSMYJCNASMP-UHFFFAOYSA-N
MW4207.35 g/mol
LogP80.43
Rot. Bonds26

About 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline

5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline (PubChem CID 163644755) has the molecular formula C297H194N18S6 and a molecular weight of 4207.35 g/mol. Its IUPAC name is 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline
PubChem CID163644755
Molecular FormulaC297H194N18S6
Molecular Weight4207.35 g/mol
Exact Mass4203.41
IUPAC Name5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline
SMILESCC1(C)c2ccccc2-c2cc3ccccc3c(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6nc7c8ccccc8sc7c7ccccc67)cc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)cc(-c4cccc(-c5ccccc5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nc6c7ccccc7sc6c6ccccc56)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C52H35N3S.2C50H33N3S.C47H27N3S.C46H31N3S/c1-52(2)43-21-10-8-17-38(43)39-28-27-36(30-44(39)52)35-15-12-16-37(29-35)46-31-45(53-51(54-46)34-13-4-3-5-14-34)32-23-25-33(26-24-32)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-52(2)43-21-10-8-17-38(43)39-28-27-37(30-44(39)52)51-53-45(31-46(54-51)36-16-12-15-35(29-36)32-13-4-3-5-14-32)33-23-25-34(26-24-33)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-50(2)40-22-12-10-18-35(40)39-28-33-16-6-7-17-34(33)44(45(39)50)42-29-41(51-49(52-42)32-14-4-3-5-15-32)30-24-26-31(27-25-30)46-36-19-8-9-20-37(36)48-47(53-46)38-21-11-13-23-43(38)54-48;1-50(2)41-22-12-10-18-34(41)35-25-24-31(28-42(35)50)43-29-44(52-49(51-43)30-14-4-3-5-15-30)36-26-27-38(33-17-7-6-16-32(33)36)46-37-19-8-9-20-39(37)48-47(53-46)40-21-11-13-23-45(40)54-48;1-2-9-28(10-3-1)39-27-40(34-25-23-31-18-17-29-11-8-12-30-24-26-35(34)43(31)42(29)30)49-47(48-39)33-21-19-32(20-22-33)44-36-13-4-5-14-37(36)46-45(50-44)38-15-6-7-16-41(38)51-46;1-46(2)37-21-10-8-17-32(37)33-24-23-31(26-38(33)46)45-47-39(28-13-4-3-5-14-28)27-40(48-45)29-15-12-16-30(25-29)42-34-18-6-7-19-35(34)44-43(49-42)36-20-9-11-22-41(36)50-44/h2*3-31H,1-2H3;2*3-29H,1-2H3;1-27H;3-27H,1-2H3
InChIKeyIHHOSMYJCNASMP-UHFFFAOYSA-N
XLogP80.43
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004207.35
LogP ≤ 580.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline?
The IUPAC name of 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline (CID 163644755) is 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline.
What is the SMILES notation for 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline?
The canonical SMILES for 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline is CC1(C)c2ccccc2-c2cc3ccccc3c(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)nc(-c4ccccc4)n3)c21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)c5ccccc45)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6nc7c8ccccc8sc7c7ccccc67)cc5)nc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-c5nc6c7ccccc7sc6c6ccccc56)cc4)cc(-c4cccc(-c5ccccc5)c4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nc6c7ccccc7sc6c6ccccc56)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc(-c3ccc(-c4nc5c6ccccc6sc5c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline?
The InChIKey is IHHOSMYJCNASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H35N3S.2C50H33N3S.C47H27N3S.C46H31N3S/c1-52(2)43-21-10-8-17-38(43)39-28-27-36(30-44(39)52)35-15-12-16-37(29-35)46-31-45(53-51(54-46)34-13-4-3-5-14-34)32-23-25-33(26-24-32)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-52(2)43-21-10-8-17-38(43)39-28-27-37(30-44(39)52)51-53-45(31-46(54-51)36-16-12-15-35(29-36)32-13-4-3-5-14-32)33-23-25-34(26-24-33)48-40-18-6-7-19-41(40)50-49(55-48)42-20-9-11-22-47(42)56-50;1-50(2)40-22-12-10-18-35(40)39-28-33-16-6-7-17-34(33)44(45(39)50)42-29-41(51-49(52-42)32-14-4-3-5-15-32)30-24-26-31(27-25-30)46-36-19-8-9-20-37(36)48-47(53-46)38-21-11-13-23-43(38)54-48;1-50(2)41-22-12-10-18-34(41)35-25-24-31(28-42(35)50)43-29-44(52-49(51-43)30-14-4-3-5-15-30)36-26-27-38(33-17-7-6-16-32(33)36)46-37-19-8-9-20-39(37)48-47(53-46)40-21-11-13-23-45(40)54-48;1-2-9-28(10-3-1)39-27-40(34-25-23-31-18-17-29-11-8-12-30-24-26-35(34)43(31)42(29)30)49-47(48-39)33-21-19-32(20-22-33)44-36-13-4-5-14-37(36)46-45(50-44)38-15-6-7-16-41(38)51-46;1-46(2)37-21-10-8-17-32(37)33-24-23-31(26-38(33)46)45-47-39(28-13-4-3-5-14-28)27-40(48-45)29-15-12-16-30(25-29)42-34-18-6-7-19-35(34)44-43(49-42)36-20-9-11-22-41(36)50-44/h2*3-31H,1-2H3;2*3-29H,1-2H3;1-27H;3-27H,1-2H3.
What are the key properties of 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline?
5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline has a molecular weight of 4207.35 g/mol, XLogP of 80.43, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(11,11-dimethylbenzo[b]fluoren-10-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[2-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[3,2-c]isoquinoline;5-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]isoquinoline;5-[4-(4-phenyl-6-pyren-1-ylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]isoquinoline is sourced from PubChem (CID 163644755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).