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

C65H44N2O — CID 166900802

IUPAC10-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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4cccc5c4c3Oc3ccc(N(c4ccccc4)c4ccccc4)cc3-5)cc2)cc1
InChIInChI=1S/C65H44N2O/c1-6-19-45(20-7-1)46-33-36-52(37-34-46)67(54-38-40-60-57(43-54)55-30-16-17-32-59(55)65(60,48-22-8-2-9-23-48)49-24-10-3-11-25-49)61-41-35-47-21-18-31-56-58-44-53(39-42-62(58)68-64(61)63(47)56)66(50-26-12-4-13-27-50)51-28-14-5-15-29-51/h1-44H
InChIKeyXVNDCKOBFCISBM-UHFFFAOYSA-N
MW869.08 g/mol
LogP17.58
Rot. Bonds9

About 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

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 (PubChem CID 166900802) has the molecular formula C65H44N2O and a molecular weight of 869.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID166900802
Molecular FormulaC65H44N2O
Molecular Weight869.08 g/mol
Exact Mass868.35
IUPAC Name10-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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4cccc5c4c3Oc3ccc(N(c4ccccc4)c4ccccc4)cc3-5)cc2)cc1
InChIInChI=1S/C65H44N2O/c1-6-19-45(20-7-1)46-33-36-52(37-34-46)67(54-38-40-60-57(43-54)55-30-16-17-32-59(55)65(60,48-22-8-2-9-23-48)49-24-10-3-11-25-49)61-41-35-47-21-18-31-56-58-44-53(39-42-62(58)68-64(61)63(47)56)66(50-26-12-4-13-27-50)51-28-14-5-15-29-51/h1-44H
InChIKeyXVNDCKOBFCISBM-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 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 with MolForge

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Related Compounds

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
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
4-N,4-N,10-N-triphenyl-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-4,10-diamine
CID 168855786
4-N,4-N,10-N,10-N-tetrakis(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 168855597
4-N-(9,9-dimethylfluoren-2-yl)-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 168855904
N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine
CID 166900799
10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-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 168856006
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
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
5-N,5-N-diphenyl-10-N,10-N-bis[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 168855923
10-N-(9,9-dimethylfluoren-2-yl)-5-N,5-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-5,10-diamine
CID 168855779
N-(9,9-diphenylfluoren-3-yl)-6-phenyl-N-(4-phenylphenyl)spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812185

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4cccc5c4c3Oc3ccc(N(c4ccccc4)c4ccccc4)cc3-5)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is XVNDCKOBFCISBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O/c1-6-19-45(20-7-1)46-33-36-52(37-34-46)67(54-38-40-60-57(43-54)55-30-16-17-32-59(55)65(60,48-22-8-2-9-23-48)49-24-10-3-11-25-49)61-41-35-47-21-18-31-56-58-44-53(39-42-62(58)68-64(61)63(47)56)66(50-26-12-4-13-27-50)51-28-14-5-15-29-51/h1-44H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 166900802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).