5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

C73H54N4O3 — CID 129130051

IUPAC5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)oc4ncccc45)c4c(oc5ccccc54)c2-3)c2ccc3c(c2)oc2ncccc23)cc1
InChIInChI=1S/C73H54N4O3/c1-71(2,3)43-23-27-45(28-24-43)76(48-31-34-52-54-18-13-37-74-69(54)79-64(52)40-48)47-33-36-56-60(39-47)73(58-20-10-7-15-50(58)51-16-8-11-21-59(51)73)61-42-62(67-57-17-9-12-22-63(57)78-68(67)66(56)61)77(46-29-25-44(26-30-46)72(4,5)6)49-32-35-53-55-19-14-38-75-70(55)80-65(53)41-49/h7-42H,1-6H3
InChIKeySRRQFEDPWMSRNA-UHFFFAOYSA-N
MW1035.26 g/mol
LogP20.05
Rot. Bonds6

About 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (PubChem CID 129130051) has the molecular formula C73H54N4O3 and a molecular weight of 1035.26 g/mol. Its IUPAC name is 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.

Molecular Properties

Compound Name5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
PubChem CID129130051
Molecular FormulaC73H54N4O3
Molecular Weight1035.26 g/mol
Exact Mass1034.42
IUPAC Name5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)oc4ncccc45)c4c(oc5ccccc54)c2-3)c2ccc3c(c2)oc2ncccc23)cc1
InChIInChI=1S/C73H54N4O3/c1-71(2,3)43-23-27-45(28-24-43)76(48-31-34-52-54-18-13-37-74-69(54)79-64(52)40-48)47-33-36-56-60(39-47)73(58-20-10-7-15-50(58)51-16-8-11-21-59(51)73)61-42-62(67-57-17-9-12-22-63(57)78-68(67)66(56)61)77(46-29-25-44(26-30-46)72(4,5)6)49-32-35-53-55-19-14-38-75-70(55)80-65(53)41-49/h7-42H,1-6H3
InChIKeySRRQFEDPWMSRNA-UHFFFAOYSA-N
XLogP20.05
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.26
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The IUPAC name of 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (CID 129130051) is 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.
What is the SMILES notation for 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The canonical SMILES for 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc5c(c4)oc4ncccc45)c4c(oc5ccccc54)c2-3)c2ccc3c(c2)oc2ncccc23)cc1.
What is the InChIKey of 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The InChIKey is SRRQFEDPWMSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4O3/c1-71(2,3)43-23-27-45(28-24-43)76(48-31-34-52-54-18-13-37-74-69(54)79-64(52)40-48)47-33-36-56-60(39-47)73(58-20-10-7-15-50(58)51-16-8-11-21-59(51)73)61-42-62(67-57-17-9-12-22-63(57)78-68(67)66(56)61)77(46-29-25-44(26-30-46)72(4,5)6)49-32-35-53-55-19-14-38-75-70(55)80-65(53)41-49/h7-42H,1-6H3.
What are the key properties of 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine has a molecular weight of 1035.26 g/mol, XLogP of 20.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',9-N'-bis([1]benzofuro[2,3-b]pyridin-7-yl)-5-N',9-N'-bis(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is sourced from PubChem (CID 129130051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).