2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

C73H50N2 — CID 21082914

IUPAC2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)cc6)ccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C73H50N2/c1-7-19-51(20-8-1)53-31-35-55(36-32-53)57-39-43-65-66-44-40-58(56-37-33-54(34-38-56)52-21-9-2-10-22-52)48-70(66)73(69(65)47-57)71-49-63(74(59-23-11-3-12-24-59)60-25-13-4-14-26-60)41-45-67(71)68-46-42-64(50-72(68)73)75(61-27-15-5-16-28-61)62-29-17-6-18-30-62/h1-50H
InChIKeyLPPFMLUJSNHISX-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.64
Rot. Bonds10

About 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine

2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 21082914) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID21082914
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC Name2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)cc6)ccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C73H50N2/c1-7-19-51(20-8-1)53-31-35-55(36-32-53)57-39-43-65-66-44-40-58(56-37-33-54(34-38-56)52-21-9-2-10-22-52)48-70(66)73(69(65)47-57)71-49-63(74(59-23-11-3-12-24-59)60-25-13-4-14-26-60)41-45-67(71)68-46-42-64(50-72(68)73)75(61-27-15-5-16-28-61)62-29-17-6-18-30-62/h1-50H
InChIKeyLPPFMLUJSNHISX-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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Frequently Asked Questions

What is the IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine (CID 21082914) is 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccccc7)cc6)ccc5-4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is LPPFMLUJSNHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-7-19-51(20-8-1)53-31-35-55(36-32-53)57-39-43-65-66-44-40-58(56-37-33-54(34-38-56)52-21-9-2-10-22-52)48-70(66)73(69(65)47-57)71-49-63(74(59-23-11-3-12-24-59)60-25-13-4-14-26-60)41-45-67(71)68-46-42-64(50-72(68)73)75(61-27-15-5-16-28-61)62-29-17-6-18-30-62/h1-50H.
What are the key properties of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-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 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 21082914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).