1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine

C61H43N3 — CID 146601554

IUPAC1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H43N3/c1-5-22-44(23-6-1)62(45-24-7-2-8-25-45)48-30-19-31-49(42-48)63(46-26-9-3-10-27-46)50-32-20-33-51(43-50)64(47-28-11-4-12-29-47)59-41-21-40-58-60(59)54-36-15-18-39-57(54)61(58)55-37-16-13-34-52(55)53-35-14-17-38-56(53)61/h1-43H
InChIKeyTTYZZFYOKHLDQU-UHFFFAOYSA-N
MW818.04 g/mol
LogP16.44
Rot. Bonds9

About 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine

1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine (PubChem CID 146601554) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
PubChem CID146601554
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H43N3/c1-5-22-44(23-6-1)62(45-24-7-2-8-25-45)48-30-19-31-49(42-48)63(46-26-9-3-10-27-46)50-32-20-33-51(43-50)64(47-28-11-4-12-29-47)59-41-21-40-58-60(59)54-36-15-18-39-57(54)61(58)55-37-16-13-34-52(55)53-35-14-17-38-56(53)61/h1-43H
InChIKeyTTYZZFYOKHLDQU-UHFFFAOYSA-N
XLogP16.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
CID 118153721
CID 118153721
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749981
CID 118153763
CID 118153763
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine (CID 146601554) is 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine?
The InChIKey is TTYZZFYOKHLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-5-22-44(23-6-1)62(45-24-7-2-8-25-45)48-30-19-31-49(42-48)63(46-26-9-3-10-27-46)50-32-20-33-51(43-50)64(47-28-11-4-12-29-47)59-41-21-40-58-60(59)54-36-15-18-39-57(54)61(58)55-37-16-13-34-52(55)53-35-14-17-38-56(53)61/h1-43H.
What are the key properties of 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine?
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine has a molecular weight of 818.04 g/mol, XLogP of 16.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 146601554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).