N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine

C82H64N2S2 — CID 121323257

IUPACN-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3-c3cccc4c3sc3ccccc34)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1c(C)cccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C82H64N2S2/c1-49-21-17-27-63(67-31-19-29-65-61-25-11-15-35-75(61)85-79(65)67)77(49)83(55-39-41-59-57-23-9-13-33-69(57)81(5,6)71(59)47-55)73-43-37-53(45-51(73)3)54-38-44-74(52(4)46-54)84(56-40-42-60-58-24-10-14-34-70(58)82(7,8)72(60)48-56)78-50(2)22-18-28-64(78)68-32-20-30-66-62-26-12-16-36-76(62)86-80(66)68/h9-48H,1-8H3
InChIKeySTOQHHOJBZVYQN-UHFFFAOYSA-N
MW1141.56 g/mol
LogP24.21
Rot. Bonds9

About N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 121323257) has the molecular formula C82H64N2S2 and a molecular weight of 1141.56 g/mol. Its IUPAC name is N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID121323257
Molecular FormulaC82H64N2S2
Molecular Weight1141.56 g/mol
Exact Mass1140.45
IUPAC NameN-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3-c3cccc4c3sc3ccccc34)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1c(C)cccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C82H64N2S2/c1-49-21-17-27-63(67-31-19-29-65-61-25-11-15-35-75(61)85-79(65)67)77(49)83(55-39-41-59-57-23-9-13-33-69(57)81(5,6)71(59)47-55)73-43-37-53(45-51(73)3)54-38-44-74(52(4)46-54)84(56-40-42-60-58-24-10-14-34-70(58)82(7,8)72(60)48-56)78-50(2)22-18-28-64(78)68-32-20-30-66-62-26-12-16-36-76(62)86-80(66)68/h9-48H,1-8H3
InChIKeySTOQHHOJBZVYQN-UHFFFAOYSA-N
XLogP24.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.56
LogP ≤ 524.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-methylaniline;4-[4-(4-dibenzothiophen-4-yl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-3-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylaniline;N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-dibenzothiophen-4-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 157469979
N-[4-[4-[N,2-bis(9,9-dimethylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[N-dibenzothiophen-2-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-2-amine;N-[4-[4-[N-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-[N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159587808
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-[4-[4-(4-dibenzothiophen-4-yl-N-(2,6-dimethylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2,6-dimethylaniline;ethane;ethene
CID 144761421
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-[4-[4-(2-dibenzothiophen-4-yl-6-methyl-N-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)naphthalen-1-amine
CID 121323241
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155220978
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine (CID 121323257) is N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine is Cc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3-c3cccc4c3sc3ccccc34)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1c(C)cccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is STOQHHOJBZVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H64N2S2/c1-49-21-17-27-63(67-31-19-29-65-61-25-11-15-35-75(61)85-79(65)67)77(49)83(55-39-41-59-57-23-9-13-33-69(57)81(5,6)71(59)47-55)73-43-37-53(45-51(73)3)54-38-44-74(52(4)46-54)84(56-40-42-60-58-24-10-14-34-70(58)82(7,8)72(60)48-56)78-50(2)22-18-28-64(78)68-32-20-30-66-62-26-12-16-36-76(62)86-80(66)68/h9-48H,1-8H3.
What are the key properties of N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1141.56 g/mol, XLogP of 24.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-methylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-yl-6-methylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 121323257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).