7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine

C67H44N2O — CID 174334823

IUPAC7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Cc3cc5cc6c(cc5cc3-4)oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc36)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C67H44N2O/c1-3-11-44(12-4-1)48-19-25-56(26-20-48)68(58-29-23-46-15-7-9-17-50(46)37-58)60-31-33-62-55(39-60)36-54-35-52-41-65-63-34-32-61(43-67(63)70-66(65)42-53(52)40-64(54)62)69(59-30-24-47-16-8-10-18-51(47)38-59)57-27-21-49(22-28-57)45-13-5-2-6-14-45/h1-35,37-43H,36H2
InChIKeyHXMMAKJDJFZCNF-UHFFFAOYSA-N
MW893.10 g/mol
LogP18.89
Rot. Bonds8

About 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine

7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine (PubChem CID 174334823) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine
PubChem CID174334823
Molecular FormulaC67H44N2O
Molecular Weight893.10 g/mol
Exact Mass892.35
IUPAC Name7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Cc3cc5cc6c(cc5cc3-4)oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc36)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C67H44N2O/c1-3-11-44(12-4-1)48-19-25-56(26-20-48)68(58-29-23-46-15-7-9-17-50(46)37-58)60-31-33-62-55(39-60)36-54-35-52-41-65-63-34-32-61(43-67(63)70-66(65)42-53(52)40-64(54)62)69(59-30-24-47-16-8-10-18-51(47)38-59)57-27-21-49(22-28-57)45-13-5-2-6-14-45/h1-35,37-43H,36H2
InChIKeyHXMMAKJDJFZCNF-UHFFFAOYSA-N
XLogP18.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine with MolForge

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Related Compounds

3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N,N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine (CID 174334823) is 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)Cc3cc5cc6c(cc5cc3-4)oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc36)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine?
The InChIKey is HXMMAKJDJFZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-3-11-44(12-4-1)48-19-25-56(26-20-48)68(58-29-23-46-15-7-9-17-50(46)37-58)60-31-33-62-55(39-60)36-54-35-52-41-65-63-34-32-61(43-67(63)70-66(65)42-53(52)40-64(54)62)69(59-30-24-47-16-8-10-18-51(47)38-59)57-27-21-49(22-28-57)45-13-5-2-6-14-45/h1-35,37-43H,36H2.
What are the key properties of 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine?
7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine has a molecular weight of 893.10 g/mol, XLogP of 18.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-dinaphthalen-2-yl-7-N,19-N-bis(4-phenylphenyl)-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaene-7,19-diamine is sourced from PubChem (CID 174334823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).