4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

C58H42N2S — CID 138667358

IUPAC4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C58H42N2S/c1-57(2)50-24-12-14-26-52(50)58(53-27-15-13-25-51(53)57)49-23-11-9-21-45(49)46-35-33-44(38-54(46)58)60(43-34-36-56-48(37-43)47-22-10-16-28-55(47)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3
InChIKeyMKYUAUZUZZUSPI-UHFFFAOYSA-N
MW799.06 g/mol
LogP16.00
Rot. Bonds6

About 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 138667358) has the molecular formula C58H42N2S and a molecular weight of 799.06 g/mol. Its IUPAC name is 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID138667358
Molecular FormulaC58H42N2S
Molecular Weight799.06 g/mol
Exact Mass798.31
IUPAC Name4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C58H42N2S/c1-57(2)50-24-12-14-26-52(50)58(53-27-15-13-25-51(53)57)49-23-11-9-21-45(49)46-35-33-44(38-54(46)58)60(43-34-36-56-48(37-43)47-22-10-16-28-55(47)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3
InChIKeyMKYUAUZUZZUSPI-UHFFFAOYSA-N
XLogP16.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.06
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 138667358) is 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21.
What is the InChIKey of 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is MKYUAUZUZZUSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2S/c1-57(2)50-24-12-14-26-52(50)58(53-27-15-13-25-51(53)57)49-23-11-9-21-45(49)46-35-33-44(38-54(46)58)60(43-34-36-56-48(37-43)47-22-10-16-28-55(47)61-56)42-31-29-41(30-32-42)59(39-17-5-3-6-18-39)40-19-7-4-8-20-40/h3-38H,1-2H3.
What are the key properties of 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 799.06 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 138667358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).