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

C62H42N2O — CID 166900455

IUPAC11-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cccc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(c35)O4)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-4-14-43(15-5-1)46-26-32-51(33-27-46)63(52-34-28-47(29-35-52)44-16-6-2-7-17-44)54-38-39-60-58(41-54)57-24-12-22-50-40-55(42-61(65-60)62(50)57)64(59-25-13-21-49-20-10-11-23-56(49)59)53-36-30-48(31-37-53)45-18-8-3-9-19-45/h1-42H
InChIKeyMNHYZNVZOKDPEP-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.71
Rot. Bonds9

About 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

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 (PubChem CID 166900455) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID166900455
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC Name11-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cccc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(c35)O4)cc2)cc1
InChIInChI=1S/C62H42N2O/c1-4-14-43(15-5-1)46-26-32-51(33-27-46)63(52-34-28-47(29-35-52)44-16-6-2-7-17-44)54-38-39-60-58(41-54)57-24-12-22-50-40-55(42-61(65-60)62(50)57)64(59-25-13-21-49-20-10-11-23-56(49)59)53-36-30-48(31-37-53)45-18-8-3-9-19-45/h1-42H
InChIKeyMNHYZNVZOKDPEP-UHFFFAOYSA-N
XLogP17.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-N-[4-(4-phenylphenyl)phenyl]-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 166900401
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
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
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
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 122493278
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-phenylaniline
CID 174305309
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-(4-phenylphenyl)aniline
CID 174305442
16-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-amine
CID 176598374
4-N,4-N,12-N,12-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855914
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2-phenylaniline
CID 174305515
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cccc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(c35)O4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MNHYZNVZOKDPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-4-14-43(15-5-1)46-26-32-51(33-27-46)63(52-34-28-47(29-35-52)44-16-6-2-7-17-44)54-38-39-60-58(41-54)57-24-12-22-50-40-55(42-61(65-60)62(50)57)64(59-25-13-21-49-20-10-11-23-56(49)59)53-36-30-48(31-37-53)45-18-8-3-9-19-45/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 831.03 g/mol, XLogP of 17.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166900455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).