1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine

C55H38N2 — CID 144781112

IUPAC1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C55H38N2/c1-5-19-41(20-6-1)56(42-21-7-2-8-22-42)45-35-40(36-46(38-45)57(43-23-9-3-10-24-43)44-25-11-4-12-26-44)39-33-34-50-49-29-15-18-32-53(49)55(54(50)37-39)51-30-16-13-27-47(51)48-28-14-17-31-52(48)55/h1-38H
InChIKeyWEOYUMGERXRSSY-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.64
Rot. Bonds7

About 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine (PubChem CID 144781112) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
PubChem CID144781112
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C55H38N2/c1-5-19-41(20-6-1)56(42-21-7-2-8-22-42)45-35-40(36-46(38-45)57(43-23-9-3-10-24-43)44-25-11-4-12-26-44)39-33-34-50-49-29-15-18-32-53(49)55(54(50)37-39)51-30-16-13-27-47(51)48-28-14-17-31-52(48)55/h1-38H
InChIKeyWEOYUMGERXRSSY-UHFFFAOYSA-N
XLogP14.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
CID 90164601
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine (CID 144781112) is 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine?
The InChIKey is WEOYUMGERXRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-5-19-41(20-6-1)56(42-21-7-2-8-22-42)45-35-40(36-46(38-45)57(43-23-9-3-10-24-43)44-25-11-4-12-26-44)39-33-34-50-49-29-15-18-32-53(49)55(54(50)37-39)51-30-16-13-27-47(51)48-28-14-17-31-52(48)55/h1-38H.
What are the key properties of 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine has a molecular weight of 726.92 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 144781112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).