1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

C56H36N2 — CID 122468678

IUPAC1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C56H36N2/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)51-23-11-5-17-43(51)45-31-29-37(33-53(45)55)57-35-25-27-36(28-26-35)58-38-30-32-46-44-18-6-12-24-52(44)56(54(46)34-38)49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34,57-58H
InChIKeyZKXQSATVIJSMKO-UHFFFAOYSA-N
MW736.92 g/mol
LogP13.86
Rot. Bonds4

About 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (PubChem CID 122468678) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
PubChem CID122468678
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C56H36N2/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)51-23-11-5-17-43(51)45-31-29-37(33-53(45)55)57-35-25-27-36(28-26-35)58-38-30-32-46-44-18-6-12-24-52(44)56(54(46)34-38)49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34,57-58H
InChIKeyZKXQSATVIJSMKO-UHFFFAOYSA-N
XLogP13.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 513.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 145077293
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
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
N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58202632
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-[3-[3-[(Z)-prop-1-enyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170153572
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
2-N,7-N-bis(4-fluorophenyl)-9,9-diphenylfluorene-2,7-diamine
CID 172547033

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (CID 122468678) is 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc(Nc4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The InChIKey is ZKXQSATVIJSMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)55(47)51-23-11-5-17-43(51)45-31-29-37(33-53(45)55)57-35-25-27-36(28-26-35)58-38-30-32-46-44-18-6-12-24-52(44)56(54(46)34-38)49-21-9-3-15-41(49)42-16-4-10-22-50(42)56/h1-34,57-58H.
What are the key properties of 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine has a molecular weight of 736.92 g/mol, XLogP of 13.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 122468678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).