1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine

C59H38N2O2 — CID 155483351

IUPAC1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6cc7ccccc7cc64)c4ccccc4-5)c23)cc1
InChIInChI=1S/C59H38N2O2/c1-4-19-41(20-5-1)60(42-21-6-2-7-22-42)45-32-34-48-56(38-45)63-55-30-16-28-53(58(48)55)61(43-23-8-3-9-24-43)44-31-33-47-46-25-12-13-26-49(46)59(51(47)37-44)50-27-14-15-29-54(50)62-57-36-40-18-11-10-17-39(40)35-52(57)59/h1-38H
InChIKeyRVQPYRLQIRNLLA-UHFFFAOYSA-N
MW806.97 g/mol
LogP16.15
Rot. Bonds6

About 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine

1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine (PubChem CID 155483351) has the molecular formula C59H38N2O2 and a molecular weight of 806.97 g/mol. Its IUPAC name is 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine.

Molecular Properties

Compound Name1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
PubChem CID155483351
Molecular FormulaC59H38N2O2
Molecular Weight806.97 g/mol
Exact Mass806.29
IUPAC Name1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6cc7ccccc7cc64)c4ccccc4-5)c23)cc1
InChIInChI=1S/C59H38N2O2/c1-4-19-41(20-5-1)60(42-21-6-2-7-22-42)45-32-34-48-56(38-45)63-55-30-16-28-53(58(48)55)61(43-23-8-3-9-24-43)44-31-33-47-46-25-12-13-26-49(46)59(51(47)37-44)50-27-14-15-29-54(50)62-57-36-40-18-11-10-17-39(40)35-52(57)59/h1-38H
InChIKeyRVQPYRLQIRNLLA-UHFFFAOYSA-N
XLogP16.15
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
CID 166849505
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
CID 166959987
2-N,2-N,2-N',2-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,2'-diamine;2-N,2-N,3-N',3-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,3'-diamine;2-N',2-N',3-N,3-N-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2',3-diamine;2-N,2-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-2,4'-diamine;3-N,3-N,4-N',4-N'-tetraphenylspiro[benzo[b]xanthene-12,9'-fluorene]-3,4'-diamine
CID 157359395
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 166960071
N-dibenzofuran-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165079772
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554

Frequently Asked Questions

What is the IUPAC name of 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine?
The IUPAC name of 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine (CID 155483351) is 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine.
What is the SMILES notation for 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine?
The canonical SMILES for 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6cc7ccccc7cc64)c4ccccc4-5)c23)cc1.
What is the InChIKey of 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine?
The InChIKey is RVQPYRLQIRNLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O2/c1-4-19-41(20-5-1)60(42-21-6-2-7-22-42)45-32-34-48-56(38-45)63-55-30-16-28-53(58(48)55)61(43-23-8-3-9-24-43)44-31-33-47-46-25-12-13-26-49(46)59(51(47)37-44)50-27-14-15-29-54(50)62-57-36-40-18-11-10-17-39(40)35-52(57)59/h1-38H.
What are the key properties of 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine?
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine has a molecular weight of 806.97 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine is sourced from PubChem (CID 155483351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).