3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine

C73H50N2 — CID 167236339

IUPAC3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C73H50N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-71-67(49-63)65-25-13-15-27-69(65)73(71)70-28-16-14-26-66(70)68-50-64(46-48-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-50H
InChIKeyDDBOLZOSRJSZOD-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.64
Rot. Bonds10

About 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine

3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine (PubChem CID 167236339) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine.

Molecular Properties

Compound Name3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
PubChem CID167236339
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC Name3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C73H50N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-71-67(49-63)65-25-13-15-27-69(65)73(71)70-28-16-14-26-66(70)68-50-64(46-48-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-50H
InChIKeyDDBOLZOSRJSZOD-UHFFFAOYSA-N
XLogP19.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.22
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
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
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
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

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The IUPAC name of 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine (CID 167236339) is 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine.
What is the SMILES notation for 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The canonical SMILES for 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
The InChIKey is DDBOLZOSRJSZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-71-67(49-63)65-25-13-15-27-69(65)73(71)70-28-16-14-26-66(70)68-50-64(46-48-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-50H.
What are the key properties of 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine?
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine has a molecular weight of 955.22 g/mol, XLogP of 19.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine is sourced from PubChem (CID 167236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).