2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

C62H44N2 — CID 168774947

IUPAC2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)cccc21
InChIInChI=1S/C62H44N2/c1-61(2)51-32-17-15-30-49(51)59-54(61)35-20-36-56(59)64(44-26-10-5-11-27-44)45-37-38-48-47-29-14-18-33-52(47)62(55(48)40-45)53-34-19-16-31-50(53)58-46-28-13-12-21-41(46)39-57(60(58)62)63(42-22-6-3-7-23-42)43-24-8-4-9-25-43/h3-40H,1-2H3
InChIKeySIIDVTVLLSJASN-UHFFFAOYSA-N
MW817.05 g/mol
LogP16.43
Rot. Bonds6

About 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine

2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (PubChem CID 168774947) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.

Molecular Properties

Compound Name2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
PubChem CID168774947
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)cccc21
InChIInChI=1S/C62H44N2/c1-61(2)51-32-17-15-30-49(51)59-54(61)35-20-36-56(59)64(44-26-10-5-11-27-44)45-37-38-48-47-29-14-18-33-52(47)62(55(48)40-45)53-34-19-16-31-50(53)58-46-28-13-12-21-41(46)39-57(60(58)62)63(42-22-6-3-7-23-42)43-24-8-4-9-25-43/h3-40H,1-2H3
InChIKeySIIDVTVLLSJASN-UHFFFAOYSA-N
XLogP16.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775124
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
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
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
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
3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 146602123
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775130
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775351

Frequently Asked Questions

What is the IUPAC name of 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The IUPAC name of 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine (CID 168774947) is 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine.
What is the SMILES notation for 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The canonical SMILES for 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3c(N(c3ccccc3)c3ccccc3)cc3ccccc43)cccc21.
What is the InChIKey of 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
The InChIKey is SIIDVTVLLSJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-61(2)51-32-17-15-30-49(51)59-54(61)35-20-36-56(59)64(44-26-10-5-11-27-44)45-37-38-48-47-29-14-18-33-52(47)62(55(48)40-45)53-34-19-16-31-50(53)58-46-28-13-12-21-41(46)39-57(60(58)62)63(42-22-6-3-7-23-42)43-24-8-4-9-25-43/h3-40H,1-2H3.
What are the key properties of 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine?
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine has a molecular weight of 817.05 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168774947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).