4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

C59H38N2S — CID 168775342

IUPAC4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H38N2S/c1-4-21-40(22-5-1)60(41-23-6-2-7-24-41)53-38-39-20-10-11-27-43(39)55-46-29-12-15-32-48(46)59(57(53)55)49-33-16-13-30-47(49)56-50(59)34-19-35-51(56)61(42-25-8-3-9-26-42)52-36-18-31-45-44-28-14-17-37-54(44)62-58(45)52/h1-38H
InChIKeyDUGZDHGRFWKKLH-UHFFFAOYSA-N
MW807.03 g/mol
LogP16.49
Rot. Bonds6

About 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine

4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (PubChem CID 168775342) has the molecular formula C59H38N2S and a molecular weight of 807.03 g/mol. Its IUPAC name is 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.

Molecular Properties

Compound Name4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
PubChem CID168775342
Molecular FormulaC59H38N2S
Molecular Weight807.03 g/mol
Exact Mass806.28
IUPAC Name4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H38N2S/c1-4-21-40(22-5-1)60(41-23-6-2-7-24-41)53-38-39-20-10-11-27-43(39)55-46-29-12-15-32-48(46)59(57(53)55)49-33-16-13-30-47(49)56-50(59)34-19-35-51(56)61(42-25-8-3-9-26-42)52-36-18-31-45-44-28-14-17-37-54(44)62-58(45)52/h1-38H
InChIKeyDUGZDHGRFWKKLH-UHFFFAOYSA-N
XLogP16.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.03
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444444
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
3-N'-dibenzothiophen-3-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775392
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424362

Frequently Asked Questions

What is the IUPAC name of 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The IUPAC name of 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine (CID 168775342) is 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine.
What is the SMILES notation for 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The canonical SMILES for 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is c1ccc(N(c2ccccc2)c2cc3ccccc3c3c2C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2ccccc2-3)cc1.
What is the InChIKey of 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
The InChIKey is DUGZDHGRFWKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2S/c1-4-21-40(22-5-1)60(41-23-6-2-7-24-41)53-38-39-20-10-11-27-43(39)55-46-29-12-15-32-48(46)59(57(53)55)49-33-16-13-30-47(49)56-50(59)34-19-35-51(56)61(42-25-8-3-9-26-42)52-36-18-31-45-44-28-14-17-37-54(44)62-58(45)52/h1-38H.
What are the key properties of 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine?
4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine has a molecular weight of 807.03 g/mol, XLogP of 16.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine is sourced from PubChem (CID 168775342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).