3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine

C67H46N2 — CID 167177981

IUPAC3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-26-17-31-54(42-50)68(53-29-11-4-12-30-53)57-38-40-65-61(45-57)59-34-13-15-36-63(59)67(65)64-37-16-14-35-60(64)62-46-58(39-41-66(62)67)69(55-32-18-27-51(43-55)48-22-7-2-8-23-48)56-33-19-28-52(44-56)49-24-9-3-10-25-49/h1-46H
InChIKeyKHLLJHLLEJMDGX-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.97
Rot. Bonds9

About 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine

3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine (PubChem CID 167177981) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine.

Molecular Properties

Compound Name3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
PubChem CID167177981
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-26-17-31-54(42-50)68(53-29-11-4-12-30-53)57-38-40-65-61(45-57)59-34-13-15-36-63(59)67(65)64-37-16-14-35-60(64)62-46-58(39-41-66(62)67)69(55-32-18-27-51(43-55)48-22-7-2-8-23-48)56-33-19-28-52(44-56)49-24-9-3-10-25-49/h1-46H
InChIKeyKHLLJHLLEJMDGX-UHFFFAOYSA-N
XLogP17.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308471
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N,N-diphenyl-4-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]-10'-ylaniline
CID 130262865
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The IUPAC name of 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine (CID 167177981) is 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine.
What is the SMILES notation for 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The canonical SMILES for 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.
What is the InChIKey of 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The InChIKey is KHLLJHLLEJMDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-26-17-31-54(42-50)68(53-29-11-4-12-30-53)57-38-40-65-61(45-57)59-34-13-15-36-63(59)67(65)64-37-16-14-35-60(64)62-46-58(39-41-66(62)67)69(55-32-18-27-51(43-55)48-22-7-2-8-23-48)56-33-19-28-52(44-56)49-24-9-3-10-25-49/h1-46H.
What are the key properties of 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine has a molecular weight of 879.12 g/mol, XLogP of 17.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine is sourced from PubChem (CID 167177981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).