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

C60H40N2O — CID 166900661

IUPAC6-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
SMILESc1ccc(-c2ccc(N(c3cccc4c3Oc3c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)ccc5cccc-4c35)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-15-41(16-4-1)43-31-36-48(37-32-43)61(54-28-12-21-45-19-7-9-24-50(45)54)56-30-14-27-53-52-26-11-23-47-35-40-57(60(58(47)52)63-59(53)56)62(55-29-13-22-46-20-8-10-25-51(46)55)49-38-33-44(34-39-49)42-17-5-2-6-18-42/h1-40H
InChIKeyNOVAQHIIZFZNCM-UHFFFAOYSA-N
MW804.99 g/mol
LogP17.19
Rot. Bonds8

About 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

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 (PubChem CID 166900661) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID166900661
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name6-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
SMILESc1ccc(-c2ccc(N(c3cccc4c3Oc3c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)ccc5cccc-4c35)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-15-41(16-4-1)43-31-36-48(37-32-43)61(54-28-12-21-45-19-7-9-24-50(45)54)56-30-14-27-53-52-26-11-23-47-35-40-57(60(58(47)52)63-59(53)56)62(55-29-13-22-46-20-8-10-25-51(46)55)49-38-33-44(34-39-49)42-17-5-2-6-18-42/h1-40H
InChIKeyNOVAQHIIZFZNCM-UHFFFAOYSA-N
XLogP17.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 166900430
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
6-N-(9,9-dimethylfluoren-2-yl)-6-N-phenyl-10-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 168855982
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
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
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
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
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
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
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
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
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cccc4c3Oc3c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)ccc5cccc-4c35)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NOVAQHIIZFZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-15-41(16-4-1)43-31-36-48(37-32-43)61(54-28-12-21-45-19-7-9-24-50(45)54)56-30-14-27-53-52-26-11-23-47-35-40-57(60(58(47)52)63-59(53)56)62(55-29-13-22-46-20-8-10-25-51(46)55)49-38-33-44(34-39-49)42-17-5-2-6-18-42/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 804.99 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166900661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).