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

C69H42N2O2 — CID 137492867

IUPAC7-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
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc6oc7ccccc7c56)ccc3cc2-4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C69H42N2O2/c1-3-17-47(18-4-1)70(61-27-15-31-65-67(61)53-23-9-13-29-63(53)72-65)49-35-33-43-39-55-56-40-44-34-36-50(71(48-19-5-2-6-20-48)62-28-16-32-66-68(62)54-24-10-14-30-64(54)73-66)38-46(44)42-60(56)69(59(55)41-45(43)37-49)57-25-11-7-21-51(57)52-22-8-12-26-58(52)69/h1-42H
InChIKeyJFPFJVUBLGMLFM-UHFFFAOYSA-N
MW931.11 g/mol
LogP19.07
Rot. Bonds6

About 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

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 (PubChem CID 137492867) has the molecular formula C69H42N2O2 and a molecular weight of 931.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID137492867
Molecular FormulaC69H42N2O2
Molecular Weight931.11 g/mol
Exact Mass930.32
IUPAC Name7-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
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc6oc7ccccc7c56)ccc3cc2-4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C69H42N2O2/c1-3-17-47(18-4-1)70(61-27-15-31-65-67(61)53-23-9-13-29-63(53)72-65)49-35-33-43-39-55-56-40-44-34-36-50(71(48-19-5-2-6-20-48)62-28-16-32-66-68(62)54-24-10-14-30-64(54)73-66)38-46(44)42-60(56)69(59(55)41-45(43)37-49)57-25-11-7-21-51(57)52-22-8-12-26-58(52)69/h1-42H
InChIKeyJFPFJVUBLGMLFM-UHFFFAOYSA-N
XLogP19.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.11
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine
CID 137493223
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc6oc7ccccc7c56)ccc3cc2-4)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 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?
The InChIKey is JFPFJVUBLGMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N2O2/c1-3-17-47(18-4-1)70(61-27-15-31-65-67(61)53-23-9-13-29-63(53)72-65)49-35-33-43-39-55-56-40-44-34-36-50(71(48-19-5-2-6-20-48)62-28-16-32-66-68(62)54-24-10-14-30-64(54)73-66)38-46(44)42-60(56)69(59(55)41-45(43)37-49)57-25-11-7-21-51(57)52-22-8-12-26-58(52)69/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 931.11 g/mol, XLogP of 19.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).