N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine

C64H43NOS — CID 146247420

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc32)c2ccccc21
InChIInChI=1S/C64H43NOS/c1-63(2)52-21-7-9-23-54(52)64(55-24-10-8-22-53(55)63)51-20-6-3-15-46(51)47-38-33-42(39-56(47)64)40-29-34-43(35-30-40)65(57-25-14-27-59-61(57)50-17-4-11-26-58(50)66-59)44-36-31-41(32-37-44)45-18-13-19-49-48-16-5-12-28-60(48)67-62(45)49/h3-39H,1-2H3
InChIKeyGAGBALLMAZLPOP-UHFFFAOYSA-N
MW874.12 g/mol
LogP17.76
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine (PubChem CID 146247420) has the molecular formula C64H43NOS and a molecular weight of 874.12 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine
PubChem CID146247420
Molecular FormulaC64H43NOS
Molecular Weight874.12 g/mol
Exact Mass873.31
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc32)c2ccccc21
InChIInChI=1S/C64H43NOS/c1-63(2)52-21-7-9-23-54(52)64(55-24-10-8-22-53(55)63)51-20-6-3-15-46(51)47-38-33-42(39-56(47)64)40-29-34-43(35-30-40)65(57-25-14-27-59-61(57)50-17-4-11-26-58(50)66-59)44-36-31-41(32-37-44)45-18-13-19-49-48-16-5-12-28-60(48)67-62(45)49/h3-39H,1-2H3
InChIKeyGAGBALLMAZLPOP-UHFFFAOYSA-N
XLogP17.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.12
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N,12-bis(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163666528
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)cyclohexa-1,3-dien-1-yl]dibenzofuran-3-amine
CID 146247460
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540690
N-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159250991
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 160970830
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
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-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine (CID 146247420) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cc32)c2ccccc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is GAGBALLMAZLPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NOS/c1-63(2)52-21-7-9-23-54(52)64(55-24-10-8-22-53(55)63)51-20-6-3-15-46(51)47-38-33-42(39-56(47)64)40-29-34-43(35-30-40)65(57-25-14-27-59-61(57)50-17-4-11-26-58(50)66-59)44-36-31-41(32-37-44)45-18-13-19-49-48-16-5-12-28-60(48)67-62(45)49/h3-39H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 874.12 g/mol, XLogP of 17.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 146247420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).