2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline

C114H80N2S2 — CID 121323378

IUPAC2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C114H80N2S2/c1-73-27-25-41-91(83-55-65-109-99(69-83)97-39-19-23-45-107(97)117-109)111(73)115(89-57-47-77(48-58-89)81-51-61-95-93-37-17-21-43-101(93)113(103(95)71-81,85-29-9-5-10-30-85)86-31-11-6-12-32-86)105-63-53-79(67-75(105)3)80-54-64-106(76(4)68-80)116(112-74(2)28-26-42-92(112)84-56-66-110-100(70-84)98-40-20-24-46-108(98)118-110)90-59-49-78(50-60-90)82-52-62-96-94-38-18-22-44-102(94)114(104(96)72-82,87-33-13-7-14-34-87)88-35-15-8-16-36-88/h5-72H,1-4H3
InChIKeyIWEJHBQLXYETIU-UHFFFAOYSA-N
MW1542.04 g/mol
LogP31.66
Rot. Bonds15

About 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline

2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline (PubChem CID 121323378) has the molecular formula C114H80N2S2 and a molecular weight of 1542.04 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
PubChem CID121323378
Molecular FormulaC114H80N2S2
Molecular Weight1542.04 g/mol
Exact Mass1540.58
IUPAC Name2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
SMILESCc1cc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C114H80N2S2/c1-73-27-25-41-91(83-55-65-109-99(69-83)97-39-19-23-45-107(97)117-109)111(73)115(89-57-47-77(48-58-89)81-51-61-95-93-37-17-21-43-101(93)113(103(95)71-81,85-29-9-5-10-30-85)86-31-11-6-12-32-86)105-63-53-79(67-75(105)3)80-54-64-106(76(4)68-80)116(112-74(2)28-26-42-92(112)84-56-66-110-100(70-84)98-40-20-24-46-108(98)118-110)90-59-49-78(50-60-90)82-52-62-96-94-38-18-22-44-102(94)114(104(96)72-82,87-33-13-7-14-34-87)88-35-15-8-16-36-88/h5-72H,1-4H3
InChIKeyIWEJHBQLXYETIU-UHFFFAOYSA-N
XLogP31.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001542.04
LogP ≤ 531.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
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
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-methylphenyl)anilino]-3,5-dimethylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-dimethyl-N-(2-methylphenyl)aniline
CID 121322897
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-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
N-[4-[4-(N-dibenzothiophen-2-yl-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-methylphenyl)-9,9-diphenylfluoren-2-amine;3-methyl-4-[2-methyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160562692
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-naphthalen-1-ylphenyl)anilino]-3-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-methyl-N-(2-naphthalen-1-ylphenyl)aniline
CID 121323130
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
4-[4-(4-dibenzothiophen-2-yl-N-(2-dibenzothiophen-2-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-methylaniline
CID 121323374
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline?
The IUPAC name of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline (CID 121323378) is 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline.
What is the SMILES notation for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline?
The canonical SMILES for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3c(C)cccc3-c3ccc4sc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1)c1c(C)cccc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline?
The InChIKey is IWEJHBQLXYETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H80N2S2/c1-73-27-25-41-91(83-55-65-109-99(69-83)97-39-19-23-45-107(97)117-109)111(73)115(89-57-47-77(48-58-89)81-51-61-95-93-37-17-21-43-101(93)113(103(95)71-81,85-29-9-5-10-30-85)86-31-11-6-12-32-86)105-63-53-79(67-75(105)3)80-54-64-106(76(4)68-80)116(112-74(2)28-26-42-92(112)84-56-66-110-100(70-84)98-40-20-24-46-108(98)118-110)90-59-49-78(50-60-90)82-52-62-96-94-38-18-22-44-102(94)114(104(96)72-82,87-33-13-7-14-34-87)88-35-15-8-16-36-88/h5-72H,1-4H3.
What are the key properties of 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline?
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline has a molecular weight of 1542.04 g/mol, XLogP of 31.66, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline is sourced from PubChem (CID 121323378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).