N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine

C229H210N4SSi — CID 158602462

IUPACN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cccc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H57NSi.2C58H53N.C55H47NS/c1-57(2)55-9-7-6-8-53(55)54-31-28-51(35-56(54)57)59(50-26-18-46(19-27-50)47-20-29-52(30-21-47)60(3,4)5)49-24-16-45(17-25-49)43-12-10-42(11-13-43)44-14-22-48(23-15-44)58-36-39-32-40(37-58)34-41(33-39)38-58;1-56(2)52-11-7-5-9-48(52)50-27-25-46(32-54(50)56)59(47-26-28-51-49-10-6-8-12-53(49)57(3,4)55(51)33-47)45-23-19-43(20-24-45)41-15-13-40(14-16-41)42-17-21-44(22-18-42)58-34-37-29-38(35-58)31-39(30-37)36-58;1-56(2)52-15-9-7-13-48(52)50-27-25-44(32-54(50)56)59(45-26-28-51-49-14-8-10-16-53(49)57(3,4)55(51)33-45)43-23-19-41(20-24-43)47-12-6-5-11-46(47)40-17-21-42(22-18-40)58-34-37-29-38(35-58)31-39(30-37)36-58;1-54(2)49-11-5-3-8-45(49)46-27-26-44(31-50(46)54)56(51-12-7-10-48-47-9-4-6-13-52(47)57-53(48)51)43-24-20-41(21-25-43)39-16-14-38(15-17-39)40-18-22-42(23-19-40)55-32-35-28-36(33-55)30-37(29-35)34-55/h6-31,35,39-41H,32-34,36-38H2,1-5H3;2*5-28,32-33,37-39H,29-31,34-36H2,1-4H3;3-27,31,35-37H,28-30,32-34H2,1-2H3
InChIKeyHVURUYBXBJZWOH-UHFFFAOYSA-N
MW3078.38 g/mol
LogP62.25
Rot. Bonds26

About N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine (PubChem CID 158602462) has the molecular formula C229H210N4SSi and a molecular weight of 3078.38 g/mol. Its IUPAC name is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine
PubChem CID158602462
Molecular FormulaC229H210N4SSi
Molecular Weight3078.38 g/mol
Exact Mass3075.60
IUPAC NameN-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cccc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C58H57NSi.2C58H53N.C55H47NS/c1-57(2)55-9-7-6-8-53(55)54-31-28-51(35-56(54)57)59(50-26-18-46(19-27-50)47-20-29-52(30-21-47)60(3,4)5)49-24-16-45(17-25-49)43-12-10-42(11-13-43)44-14-22-48(23-15-44)58-36-39-32-40(37-58)34-41(33-39)38-58;1-56(2)52-11-7-5-9-48(52)50-27-25-46(32-54(50)56)59(47-26-28-51-49-10-6-8-12-53(49)57(3,4)55(51)33-47)45-23-19-43(20-24-45)41-15-13-40(14-16-41)42-17-21-44(22-18-42)58-34-37-29-38(35-58)31-39(30-37)36-58;1-56(2)52-15-9-7-13-48(52)50-27-25-44(32-54(50)56)59(45-26-28-51-49-14-8-10-16-53(49)57(3,4)55(51)33-45)43-23-19-41(20-24-43)47-12-6-5-11-46(47)40-17-21-42(22-18-40)58-34-37-29-38(35-58)31-39(30-37)36-58;1-54(2)49-11-5-3-8-45(49)46-27-26-44(31-50(46)54)56(51-12-7-10-48-47-9-4-6-13-52(47)57-53(48)51)43-24-20-41(21-25-43)39-16-14-38(15-17-39)40-18-22-42(23-19-40)55-32-35-28-36(33-55)30-37(29-35)34-55/h6-31,35,39-41H,32-34,36-38H2,1-5H3;2*5-28,32-33,37-39H,29-31,34-36H2,1-4H3;3-27,31,35-37H,28-30,32-34H2,1-2H3
InChIKeyHVURUYBXBJZWOH-UHFFFAOYSA-N
XLogP62.25
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms235
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003078.38
LogP ≤ 562.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154960895
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine (CID 158602462) is N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc4)cc3)c3cccc4c3sc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine?
The InChIKey is HVURUYBXBJZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57NSi.2C58H53N.C55H47NS/c1-57(2)55-9-7-6-8-53(55)54-31-28-51(35-56(54)57)59(50-26-18-46(19-27-50)47-20-29-52(30-21-47)60(3,4)5)49-24-16-45(17-25-49)43-12-10-42(11-13-43)44-14-22-48(23-15-44)58-36-39-32-40(37-58)34-41(33-39)38-58;1-56(2)52-11-7-5-9-48(52)50-27-25-46(32-54(50)56)59(47-26-28-51-49-10-6-8-12-53(49)57(3,4)55(51)33-47)45-23-19-43(20-24-45)41-15-13-40(14-16-41)42-17-21-44(22-18-42)58-34-37-29-38(35-58)31-39(30-37)36-58;1-56(2)52-15-9-7-13-48(52)50-27-25-44(32-54(50)56)59(45-26-28-51-49-14-8-10-16-53(49)57(3,4)55(51)33-45)43-23-19-41(20-24-43)47-12-6-5-11-46(47)40-17-21-42(22-18-40)58-34-37-29-38(35-58)31-39(30-37)36-58;1-54(2)49-11-5-3-8-45(49)46-27-26-44(31-50(46)54)56(51-12-7-10-48-47-9-4-6-13-52(47)57-53(48)51)43-24-20-41(21-25-43)39-16-14-38(15-17-39)40-18-22-42(23-19-40)55-32-35-28-36(33-55)30-37(29-35)34-55/h6-31,35,39-41H,32-34,36-38H2,1-5H3;2*5-28,32-33,37-39H,29-31,34-36H2,1-4H3;3-27,31,35-37H,28-30,32-34H2,1-2H3.
What are the key properties of N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine?
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine has a molecular weight of 3078.38 g/mol, XLogP of 62.25, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-[2-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 158602462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).