10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

C65H42N2O2 — CID 168856004

IUPAC10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cccc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)c(c24)O3)cc1
InChIInChI=1S/C65H42N2O2/c1-5-20-44(21-6-1)65(45-22-7-2-8-23-45)56-32-15-13-28-50(56)51-38-36-49(42-57(51)65)67(58-33-18-31-54-52-29-14-16-34-60(52)68-63(54)58)59-39-35-43-19-17-30-53-55-41-48(37-40-61(55)69-64(59)62(43)53)66(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H
InChIKeyGIXMTSFBWZOREK-UHFFFAOYSA-N
MW883.06 g/mol
LogP17.81
Rot. Bonds8

About 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (PubChem CID 168856004) has the molecular formula C65H42N2O2 and a molecular weight of 883.06 g/mol. Its IUPAC name is 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

Molecular Properties

Compound Name10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
PubChem CID168856004
Molecular FormulaC65H42N2O2
Molecular Weight883.06 g/mol
Exact Mass882.32
IUPAC Name10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cccc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)c(c24)O3)cc1
InChIInChI=1S/C65H42N2O2/c1-5-20-44(21-6-1)65(45-22-7-2-8-23-45)56-32-15-13-28-50(56)51-38-36-49(42-57(51)65)67(58-33-18-31-54-52-29-14-16-34-60(52)68-63(54)58)59-39-35-43-19-17-30-53-55-41-48(37-40-61(55)69-64(59)62(43)53)66(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H
InChIKeyGIXMTSFBWZOREK-UHFFFAOYSA-N
XLogP17.81
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.06
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine with MolForge

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Related Compounds

10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-5-N,5-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855700
4-N-(9,9-diphenylfluoren-2-yl)-10-N,10-N-diphenyl-4-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855838
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
10-N-dibenzofuran-4-yl-5-N,5-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168856007
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
10-N-(9,9-diphenylfluoren-3-yl)-4-N,4-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900802
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855688
4-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900814
5-N-(9,9-diphenylfluoren-2-yl)-10-N,10-N-diphenyl-5-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855631

Frequently Asked Questions

What is the IUPAC name of 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The IUPAC name of 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (CID 168856004) is 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.
What is the SMILES notation for 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The canonical SMILES for 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cccc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)c(c24)O3)cc1.
What is the InChIKey of 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The InChIKey is GIXMTSFBWZOREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O2/c1-5-20-44(21-6-1)65(45-22-7-2-8-23-45)56-32-15-13-28-50(56)51-38-36-49(42-57(51)65)67(58-33-18-31-54-52-29-14-16-34-60(52)68-63(54)58)59-39-35-43-19-17-30-53-55-41-48(37-40-61(55)69-64(59)62(43)53)66(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42H.
What are the key properties of 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine has a molecular weight of 883.06 g/mol, XLogP of 17.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is sourced from PubChem (CID 168856004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).