9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

C77H58N4O3 — CID 171575701

IUPAC9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc5c(c4)oc4ncccc45)c4ccc(C(C)(C)C)cn4)cc2C3(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C77H58N4O3/c1-75(2,3)49-28-31-53(32-29-49)80(55-33-36-58-57-21-12-14-24-66(57)82-68(58)43-55)65-45-64-71(73-72(65)62-22-13-15-25-67(62)83-73)61-38-35-54(42-63(61)77(64,50-19-8-7-9-20-50)51-27-26-47-17-10-11-18-48(47)41-51)81(70-39-30-52(46-79-70)76(4,5)6)56-34-37-59-60-23-16-40-78-74(60)84-69(59)44-56/h7-46H,1-6H3
InChIKeyGIICUPFZAHPVQV-UHFFFAOYSA-N
MW1087.34 g/mol
LogP21.23
Rot. Bonds8

About 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine

9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 171575701) has the molecular formula C77H58N4O3 and a molecular weight of 1087.34 g/mol. Its IUPAC name is 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID171575701
Molecular FormulaC77H58N4O3
Molecular Weight1087.34 g/mol
Exact Mass1086.45
IUPAC Name9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc5c(c4)oc4ncccc45)c4ccc(C(C)(C)C)cn4)cc2C3(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C77H58N4O3/c1-75(2,3)49-28-31-53(32-29-49)80(55-33-36-58-57-21-12-14-24-66(57)82-68(58)43-55)65-45-64-71(73-72(65)62-22-13-15-25-67(62)83-73)61-38-35-54(42-63(61)77(64,50-19-8-7-9-20-50)51-27-26-47-17-10-11-18-48(47)41-51)81(70-39-30-52(46-79-70)76(4,5)6)56-34-37-59-60-23-16-40-78-74(60)84-69(59)44-56/h7-46H,1-6H3
InChIKeyGIICUPFZAHPVQV-UHFFFAOYSA-N
XLogP21.23
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.34
LogP ≤ 521.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 171575701) is 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc5c(c4)oc4ncccc45)c4ccc(C(C)(C)C)cn4)cc2C3(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is GIICUPFZAHPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H58N4O3/c1-75(2,3)49-28-31-53(32-29-49)80(55-33-36-58-57-21-12-14-24-66(57)82-68(58)43-55)65-45-64-71(73-72(65)62-22-13-15-25-67(62)83-73)61-38-35-54(42-63(61)77(64,50-19-8-7-9-20-50)51-27-26-47-17-10-11-18-48(47)41-51)81(70-39-30-52(46-79-70)76(4,5)6)56-34-37-59-60-23-16-40-78-74(60)84-69(59)44-56/h7-46H,1-6H3.
What are the key properties of 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine?
9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1087.34 g/mol, XLogP of 21.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-([1]benzofuro[2,3-b]pyridin-7-yl)-5-N-(4-tert-butylphenyl)-9-N-(5-tert-butyl-2-pyridinyl)-5-N-dibenzofuran-3-yl-7-naphthalen-2-yl-7-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 171575701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).