6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine

C62H44N2O — CID 168855510

IUPAC6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
SMILESC1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc5cccc-4c35)cc2)C=C1
InChIInChI=1S/C62H44N2O/c1-4-15-43(16-5-1)46-29-35-51(36-30-46)63(52-37-31-47(32-38-52)44-17-6-2-7-18-44)59-28-14-26-57-56-25-12-23-50-41-54(42-60(61(50)56)65-62(57)59)64(58-27-13-22-49-21-10-11-24-55(49)58)53-39-33-48(34-40-53)45-19-8-3-9-20-45/h1-17,19-42,44H,18H2
InChIKeyWBRORYITFNRLFG-UHFFFAOYSA-N
MW833.05 g/mol
LogP17.64
Rot. Bonds9

About 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine

6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine (PubChem CID 168855510) has the molecular formula C62H44N2O and a molecular weight of 833.05 g/mol. Its IUPAC name is 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine.

Molecular Properties

Compound Name6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
PubChem CID168855510
Molecular FormulaC62H44N2O
Molecular Weight833.05 g/mol
Exact Mass832.35
IUPAC Name6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
SMILESC1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc5cccc-4c35)cc2)C=C1
InChIInChI=1S/C62H44N2O/c1-4-15-43(16-5-1)46-29-35-51(36-30-46)63(52-37-31-47(32-38-52)44-17-6-2-7-18-44)59-28-14-26-57-56-25-12-23-50-41-54(42-60(61(50)56)65-62(57)59)64(58-27-13-22-49-21-10-11-24-55(49)58)53-39-33-48(34-40-53)45-19-8-3-9-20-45/h1-17,19-42,44H,18H2
InChIKeyWBRORYITFNRLFG-UHFFFAOYSA-N
XLogP17.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.05
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine with MolForge

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Related Compounds

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
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
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
6-N,10-N-dinaphthalen-1-yl-6-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-6,10-diamine
CID 166900661
10-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-6-amine
CID 176597453
10-cyclohexa-2,4-dien-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170241321
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaen-6-amine
CID 162774392
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
6-N,6-N,12-N-triphenyl-12-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-6,12-diamine
CID 168855927

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine?
The IUPAC name of 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine (CID 168855510) is 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine.
What is the SMILES notation for 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine?
The canonical SMILES for 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine is C1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Oc3cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc5cccc-4c35)cc2)C=C1.
What is the InChIKey of 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine?
The InChIKey is WBRORYITFNRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O/c1-4-15-43(16-5-1)46-29-35-51(36-30-46)63(52-37-31-47(32-38-52)44-17-6-2-7-18-44)59-28-14-26-57-56-25-12-23-50-41-54(42-60(61(50)56)65-62(57)59)64(58-27-13-22-49-21-10-11-24-55(49)58)53-39-33-48(34-40-53)45-19-8-3-9-20-45/h1-17,19-42,44H,18H2.
What are the key properties of 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine?
6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine has a molecular weight of 833.05 g/mol, XLogP of 17.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine is sourced from PubChem (CID 168855510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).