dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

C62H43NS — CID 142480827

IUPACdibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C50H35N.C12H8S/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)51-40-32-33-42-41-22-10-11-23-43(41)50(48(42)34-40)46-26-14-12-24-44(46)49(37-18-6-2-7-19-37,38-20-8-3-9-21-38)45-25-13-15-27-47(45)50;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-34,51H;1-8H
InChIKeyNTENKAXKMIGEFB-UHFFFAOYSA-N
MW834.10 g/mol
LogP16.21
Rot. Bonds5

About dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142480827) has the molecular formula C62H43NS and a molecular weight of 834.10 g/mol. Its IUPAC name is dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound Namedibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID142480827
Molecular FormulaC62H43NS
Molecular Weight834.10 g/mol
Exact Mass833.31
IUPAC Namedibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C50H35N.C12H8S/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)51-40-32-33-42-41-22-10-11-23-43(41)50(48(42)34-40)46-26-14-12-24-44(46)49(37-18-6-2-7-19-37,38-20-8-3-9-21-38)45-25-13-15-27-47(45)50;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-34,51H;1-8H
InChIKeyNTENKAXKMIGEFB-UHFFFAOYSA-N
XLogP16.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.10
LogP ≤ 516.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-3-amine
CID 177113959
N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118910917
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (CID 142480827) is dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is NTENKAXKMIGEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N.C12H8S/c1-4-16-35(17-5-1)36-28-30-39(31-29-36)51-40-32-33-42-41-22-10-11-23-43(41)50(48(42)34-40)46-26-14-12-24-44(46)49(37-18-6-2-7-19-37,38-20-8-3-9-21-38)45-25-13-15-27-47(45)50;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-34,51H;1-8H.
What are the key properties of dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 834.10 g/mol, XLogP of 16.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142480827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).