N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole

C190H126N12O3S — CID 159691682

IUPACN-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7sc65)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C54H35N3O.C53H34N4O.C53H38N2S.C30H19N3O/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;1-53(2)47-17-9-6-14-43(47)44-33-32-42(34-48(44)53)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-7-15-45(49)51-46-16-8-11-19-50(46)56-52(51)55;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33/h1-35H;1-34H;3-34H,1-2H3;1-19H
InChIKeyMWMNJXRMMBTFNU-UHFFFAOYSA-N
MW2657.25 g/mol
LogP50.80
Rot. Bonds23

About N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole

N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole (PubChem CID 159691682) has the molecular formula C190H126N12O3S and a molecular weight of 2657.25 g/mol. Its IUPAC name is N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound NameN-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole
PubChem CID159691682
Molecular FormulaC190H126N12O3S
Molecular Weight2657.25 g/mol
Exact Mass2654.98
IUPAC NameN-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7sc65)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C54H35N3O.C53H34N4O.C53H38N2S.C30H19N3O/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;1-53(2)47-17-9-6-14-43(47)44-33-32-42(34-48(44)53)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-7-15-45(49)51-46-16-8-11-19-50(46)56-52(51)55;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33/h1-35H;1-34H;3-34H,1-2H3;1-19H
InChIKeyMWMNJXRMMBTFNU-UHFFFAOYSA-N
XLogP50.80
TPSA152.61 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002657.25
LogP ≤ 550.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole with MolForge

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Related Compounds

9,9-dimethyl-N-[3-(6-phenyl-[1]benzothiolo[2,3-b]indol-8-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90267789
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
2-(9,9-dimethylfluoren-3-yl)-5,6-diphenylindolo[2,3-b]indole;2-(9,9-dimethylfluoren-3-yl)-6-methyl-5-phenylindolo[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-(9,9-dimethylfluoren-3-yl)-6-phenyl-[1]benzothiolo[2,3-b]indole
CID 158985583
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
CID 163759437
3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160548050
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 170368951

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole?
The IUPAC name of N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole (CID 159691682) is N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole?
The canonical SMILES for N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7sc65)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c6ccccc6oc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccccc5oc43)n2)cc1.
What is the InChIKey of N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole?
The InChIKey is MWMNJXRMMBTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O.C53H34N4O.C53H38N2S.C30H19N3O/c1-5-16-36(17-6-1)43-31-44(37-18-7-2-8-19-37)33-45(32-43)41-25-15-24-40(30-41)42-28-29-50-47(34-42)52-46-26-13-14-27-51(46)58-53(52)57(50)54-55-48(38-20-9-3-10-21-38)35-49(56-54)39-22-11-4-12-23-39;1-5-16-35(17-6-1)42-31-43(36-18-7-2-8-19-36)33-44(32-42)40-25-15-24-39(30-40)41-28-29-47-46(34-41)49-45-26-13-14-27-48(45)58-52(49)57(47)53-55-50(37-20-9-3-10-21-37)54-51(56-53)38-22-11-4-12-23-38;1-53(2)47-17-9-6-14-43(47)44-33-32-42(34-48(44)53)54(39-26-20-36(21-27-39)35-12-4-3-5-13-35)40-28-22-37(23-29-40)38-24-30-41(31-25-38)55-49-18-10-7-15-45(49)51-46-16-8-11-19-50(46)56-52(51)55;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)32-30(31-24)33-26-17-9-7-15-22(26)28-23-16-8-10-18-27(23)34-29(28)33/h1-35H;1-34H;3-34H,1-2H3;1-19H.
What are the key properties of N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole?
N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole has a molecular weight of 2657.25 g/mol, XLogP of 50.80, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-([1]benzothiolo[2,3-b]indol-6-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 159691682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).