N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine

C64H43NOS — CID 144789817

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c5c(oc43)CCC=C5)cc21
InChIInChI=1S/C64H43NOS/c1-63(2)49-21-8-3-15-42(49)43-34-33-40(37-54(43)63)65(39-31-29-38(30-32-39)41-20-13-28-58-59(41)48-19-7-12-27-57(48)67-58)55-25-14-24-52-60(55)46-17-4-9-22-50(46)64(52)51-23-10-5-18-47(51)61-53(64)36-35-45-44-16-6-11-26-56(44)66-62(45)61/h3-10,12-25,27-37H,11,26H2,1-2H3
InChIKeyWYAVCZCNHKPWOY-UHFFFAOYSA-N
MW874.12 g/mol
LogP17.55
Rot. Bonds4

About N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine (PubChem CID 144789817) has the molecular formula C64H43NOS and a molecular weight of 874.12 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine
PubChem CID144789817
Molecular FormulaC64H43NOS
Molecular Weight874.12 g/mol
Exact Mass873.31
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c5c(oc43)CCC=C5)cc21
InChIInChI=1S/C64H43NOS/c1-63(2)49-21-8-3-15-42(49)43-34-33-40(37-54(43)63)65(39-31-29-38(30-32-39)41-20-13-28-58-59(41)48-19-7-12-27-57(48)67-58)55-25-14-24-52-60(55)46-17-4-9-22-50(46)64(52)51-23-10-5-18-47(51)61-53(64)36-35-45-44-16-6-11-26-56(44)66-62(45)61/h3-10,12-25,27-37H,11,26H2,1-2H3
InChIKeyWYAVCZCNHKPWOY-UHFFFAOYSA-N
XLogP17.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.12
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 126538536
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
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-1-amine
CID 135229601
bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine);bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine)
CID 159889850
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
N-(9,9-dimethylfluoren-2-yl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130463338
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
CID 158018181
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine (CID 144789817) is N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c5c(oc43)CCC=C5)cc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine?
The InChIKey is WYAVCZCNHKPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NOS/c1-63(2)49-21-8-3-15-42(49)43-34-33-40(37-54(43)63)65(39-31-29-38(30-32-39)41-20-13-28-58-59(41)48-19-7-12-27-57(48)67-58)55-25-14-24-52-60(55)46-17-4-9-22-50(46)64(52)51-23-10-5-18-47(51)61-53(64)36-35-45-44-16-6-11-26-56(44)66-62(45)61/h3-10,12-25,27-37H,11,26H2,1-2H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine has a molecular weight of 874.12 g/mol, XLogP of 17.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-fluorene]-4'-amine is sourced from PubChem (CID 144789817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).