6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

C64H48N2O2 — CID 155361636

IUPAC6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
SMILESCC(C)c1ccc(N(c2ccccc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6ccc(C(C)C)c7ccccc67)c6ccccc6c45)c3c3ccccc23)c2ccccc12
InChIInChI=1S/C64H48N2O2/c1-39(2)43-33-35-55(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)57-37-59-61(51-29-17-15-27-49(51)57)53-31-32-54-62-52-30-18-16-28-50(52)58(38-60(62)68-64(54)63(53)67-59)66(42-21-9-6-10-22-42)56-36-34-44(40(3)4)46-24-12-14-26-48(46)56/h5-40H,1-4H3
InChIKeyMUYXPLNRFVHORT-UHFFFAOYSA-N
MW877.10 g/mol
LogP19.28
Rot. Bonds8

About 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (PubChem CID 155361636) has the molecular formula C64H48N2O2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

Molecular Properties

Compound Name6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
PubChem CID155361636
Molecular FormulaC64H48N2O2
Molecular Weight877.10 g/mol
Exact Mass876.37
IUPAC Name6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
SMILESCC(C)c1ccc(N(c2ccccc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6ccc(C(C)C)c7ccccc67)c6ccccc6c45)c3c3ccccc23)c2ccccc12
InChIInChI=1S/C64H48N2O2/c1-39(2)43-33-35-55(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)57-37-59-61(51-29-17-15-27-49(51)57)53-31-32-54-62-52-30-18-16-28-50(52)58(38-60(62)68-64(54)63(53)67-59)66(42-21-9-6-10-22-42)56-36-34-44(40(3)4)46-24-12-14-26-48(46)56/h5-40H,1-4H3
InChIKeyMUYXPLNRFVHORT-UHFFFAOYSA-N
XLogP19.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine with MolForge

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Related Compounds

6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155361637
10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360889
6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360920
10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155359774
6-N,6-N,25-N,25-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155359449
10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360417
10-N,21-N-dinaphthalen-1-yl-10-N,21-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(4-propan-2-ylnaphthalen-1-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-diphenyl-10-N,21-N-bis(6-propan-2-ylnaphthalen-2-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 158789598
6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360251
6-N,25-N-bis(6-tert-butyldibenzofuran-2-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360939
11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148884007
10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155361809
N,5-diphenyl-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176808221

Frequently Asked Questions

What is the IUPAC name of 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The IUPAC name of 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (CID 155361636) is 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.
What is the SMILES notation for 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The canonical SMILES for 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is CC(C)c1ccc(N(c2ccccc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6ccc(C(C)C)c7ccccc67)c6ccccc6c45)c3c3ccccc23)c2ccccc12.
What is the InChIKey of 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The InChIKey is MUYXPLNRFVHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O2/c1-39(2)43-33-35-55(47-25-13-11-23-45(43)47)65(41-19-7-5-8-20-41)57-37-59-61(51-29-17-15-27-49(51)57)53-31-32-54-62-52-30-18-16-28-50(52)58(38-60(62)68-64(54)63(53)67-59)66(42-21-9-6-10-22-42)56-36-34-44(40(3)4)46-24-12-14-26-48(46)56/h5-40H,1-4H3.
What are the key properties of 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine has a molecular weight of 877.10 g/mol, XLogP of 19.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is sourced from PubChem (CID 155361636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).