N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine

C81H54N2OS2 — CID 164934499

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc(-c4ccc5c(c4)sc4cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c45)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C81H54N2OS2/c1-81(2)71-46-56(52-20-8-4-9-21-52)34-40-63(71)64-42-39-61(50-72(64)81)82(59-37-32-53(33-38-59)55-36-43-76-69(45-55)66-27-13-15-30-75(66)85-76)62-48-68(80-70(49-62)65-26-12-14-29-74(65)84-80)57-35-41-67-78(47-57)86-77-31-17-28-73(79(67)77)83(58-23-10-5-11-24-58)60-25-16-22-54(44-60)51-18-6-3-7-19-51/h3-50H,1-2H3
InChIKeyIKHRLWASEUEIFU-UHFFFAOYSA-N
MW1135.47 g/mol
LogP24.24
Rot. Bonds10

About N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine (PubChem CID 164934499) has the molecular formula C81H54N2OS2 and a molecular weight of 1135.47 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine
PubChem CID164934499
Molecular FormulaC81H54N2OS2
Molecular Weight1135.47 g/mol
Exact Mass1134.37
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc(-c4ccc5c(c4)sc4cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c45)c4oc5ccccc5c4c3)cc21
InChIInChI=1S/C81H54N2OS2/c1-81(2)71-46-56(52-20-8-4-9-21-52)34-40-63(71)64-42-39-61(50-72(64)81)82(59-37-32-53(33-38-59)55-36-43-76-69(45-55)66-27-13-15-30-75(66)85-76)62-48-68(80-70(49-62)65-26-12-14-29-74(65)84-80)57-35-41-67-78(47-57)86-77-31-17-28-73(79(67)77)83(58-23-10-5-11-24-58)60-25-16-22-54(44-60)51-18-6-3-7-19-51/h3-50H,1-2H3
InChIKeyIKHRLWASEUEIFU-UHFFFAOYSA-N
XLogP24.24
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.47
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine with MolForge

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Related Compounds

N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
CID 168839723
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158200664
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 160760563
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-7-phenanthren-9-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 161085822
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]triphenylen-2-amine;2-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-9,9-dimethyl-7-N-naphthalen-1-yl-7-N-phenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine
CID 162050229
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 158349506
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 159160175
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine (CID 164934499) is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cc(-c4ccc5c(c4)sc4cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c45)c4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine?
The InChIKey is IKHRLWASEUEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54N2OS2/c1-81(2)71-46-56(52-20-8-4-9-21-52)34-40-63(71)64-42-39-61(50-72(64)81)82(59-37-32-53(33-38-59)55-36-43-76-69(45-55)66-27-13-15-30-75(66)85-76)62-48-68(80-70(49-62)65-26-12-14-29-74(65)84-80)57-35-41-67-78(47-57)86-77-31-17-28-73(79(67)77)83(58-23-10-5-11-24-58)60-25-16-22-54(44-60)51-18-6-3-7-19-51/h3-50H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine has a molecular weight of 1135.47 g/mol, XLogP of 24.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine is sourced from PubChem (CID 164934499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).