11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine

C65H44N2O — CID 168855556

IUPAC11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
SMILESc1ccc(-c2ccc(N(c3cc4c5c(cccc5c3)-c3cc(N(c5ccccc5)c5ccccc5)ccc3O4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H44N2O/c1-6-20-45(21-7-1)46-36-38-52(39-37-46)67(60-35-19-34-59-64(60)56-31-16-17-33-58(56)65(59,48-23-8-2-9-24-48)49-25-10-3-11-26-49)54-42-47-22-18-32-55-57-43-53(40-41-61(57)68-62(44-54)63(47)55)66(50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-44H
InChIKeyHVBCHMKWTJDANU-UHFFFAOYSA-N
MW869.08 g/mol
LogP17.58
Rot. Bonds9

About 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine

11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine (PubChem CID 168855556) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine.

Molecular Properties

Compound Name11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
PubChem CID168855556
Molecular FormulaC65H44N2O
Molecular Weight869.08 g/mol
Exact Mass868.35
IUPAC Name11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
SMILESc1ccc(-c2ccc(N(c3cc4c5c(cccc5c3)-c3cc(N(c5ccccc5)c5ccccc5)ccc3O4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H44N2O/c1-6-20-45(21-7-1)46-36-38-52(39-37-46)67(60-35-19-34-59-64(60)56-31-16-17-33-58(56)65(59,48-23-8-2-9-24-48)49-25-10-3-11-26-49)54-42-47-22-18-32-55-57-43-53(40-41-61(57)68-62(44-54)63(47)55)66(50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-44H
InChIKeyHVBCHMKWTJDANU-UHFFFAOYSA-N
XLogP17.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine with MolForge

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Related Compounds

4-N,4-N,11-N,11-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900445
11-N-naphthalen-1-yl-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900455
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
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
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
11-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900464
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
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
CID 168855464

Frequently Asked Questions

What is the IUPAC name of 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine?
The IUPAC name of 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine (CID 168855556) is 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine.
What is the SMILES notation for 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine?
The canonical SMILES for 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine is c1ccc(-c2ccc(N(c3cc4c5c(cccc5c3)-c3cc(N(c5ccccc5)c5ccccc5)ccc3O4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine?
The InChIKey is HVBCHMKWTJDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-6-20-45(21-7-1)46-36-38-52(39-37-46)67(60-35-19-34-59-64(60)56-31-16-17-33-58(56)65(59,48-23-8-2-9-24-48)49-25-10-3-11-26-49)54-42-47-22-18-32-55-57-43-53(40-41-61(57)68-62(44-54)63(47)55)66(50-27-12-4-13-28-50)51-29-14-5-15-30-51/h1-44H.
What are the key properties of 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine?
11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine has a molecular weight of 869.08 g/mol, XLogP of 17.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine is sourced from PubChem (CID 168855556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).