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

C64H44N2O — CID 168855923

IUPAC5-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5cccc6c5c4Oc4cc(N(c5ccccc5)c5ccccc5)ccc4-6)cc3)cc2)cc1
InChIInChI=1S/C64H44N2O/c1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-37-56(38-33-51)66(57-39-34-52(35-40-57)50-30-26-48(27-31-50)46-16-7-2-8-17-46)61-43-36-53-18-13-23-60-59-42-41-58(44-62(59)67-64(61)63(53)60)65(54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-44H
InChIKeyFBUAYSRQNTWEIE-UHFFFAOYSA-N
MW857.07 g/mol
LogP18.22
Rot. Bonds10

About 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

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 (PubChem CID 168855923) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID168855923
Molecular FormulaC64H44N2O
Molecular Weight857.07 g/mol
Exact Mass856.35
IUPAC Name5-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5cccc6c5c4Oc4cc(N(c5ccccc5)c5ccccc5)ccc4-6)cc3)cc2)cc1
InChIInChI=1S/C64H44N2O/c1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-37-56(38-33-51)66(57-39-34-52(35-40-57)50-30-26-48(27-31-50)46-16-7-2-8-17-46)61-43-36-53-18-13-23-60-59-42-41-58(44-62(59)67-64(61)63(53)60)65(54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-44H
InChIKeyFBUAYSRQNTWEIE-UHFFFAOYSA-N
XLogP18.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,5-N,10-N,10-N-tetraphenyl-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 168855554
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
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
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
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
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-(9,9-dimethylfluoren-4-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 168855650
10-N-(4-dibenzothiophen-4-ylphenyl)-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 168855499
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
10-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-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 168855840
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5cccc6c5c4Oc4cc(N(c5ccccc5)c5ccccc5)ccc4-6)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FBUAYSRQNTWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-37-56(38-33-51)66(57-39-34-52(35-40-57)50-30-26-48(27-31-50)46-16-7-2-8-17-46)61-43-36-53-18-13-23-60-59-42-41-58(44-62(59)67-64(61)63(53)60)65(54-19-9-3-10-20-54)55-21-11-4-12-22-55/h1-44H.
What are the key properties of 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?
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 has a molecular weight of 857.07 g/mol, XLogP of 18.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168855923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).