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

C86H72N2O2 — CID 155359449

IUPAC6-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
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C(C)(C)c7ccccc7)cc6)c6ccc(C(C)(C)c7ccccc7)cc6)c6ccccc6c45)c3c3ccccc23)cc1
InChIInChI=1S/C86H72N2O2/c1-83(2,57-25-13-9-14-26-57)61-37-45-65(46-38-61)87(66-47-39-62(40-48-66)84(3,4)58-27-15-10-16-28-58)75-55-77-79(71-35-23-21-33-69(71)75)73-53-54-74-80-72-36-24-22-34-70(72)76(56-78(80)90-82(74)81(73)89-77)88(67-49-41-63(42-50-67)85(5,6)59-29-17-11-18-30-59)68-51-43-64(44-52-68)86(7,8)60-31-19-12-20-32-60/h9-56H,1-8H3
InChIKeyKULACSZNYJCHBL-UHFFFAOYSA-N
MW1165.53 g/mol
LogP24.03
Rot. Bonds14

About 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

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 (PubChem CID 155359449) has the molecular formula C86H72N2O2 and a molecular weight of 1165.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID155359449
Molecular FormulaC86H72N2O2
Molecular Weight1165.53 g/mol
Exact Mass1164.56
IUPAC Name6-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
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C(C)(C)c7ccccc7)cc6)c6ccc(C(C)(C)c7ccccc7)cc6)c6ccccc6c45)c3c3ccccc23)cc1
InChIInChI=1S/C86H72N2O2/c1-83(2,57-25-13-9-14-26-57)61-37-45-65(46-38-61)87(66-47-39-62(40-48-66)84(3,4)58-27-15-10-16-28-58)75-55-77-79(71-35-23-21-33-69(71)75)73-53-54-74-80-72-36-24-22-34-70(72)76(56-78(80)90-82(74)81(73)89-77)88(67-49-41-63(42-50-67)85(5,6)59-29-17-11-18-30-59)68-51-43-64(44-52-68)86(7,8)60-31-19-12-20-32-60/h9-56H,1-8H3
InChIKeyKULACSZNYJCHBL-UHFFFAOYSA-N
XLogP24.03
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.53
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
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
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
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,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
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-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
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine
CID 138651102
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
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
11-N,25-N-di(phenanthren-3-yl)-11-N,25-N-diphenyl-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 148742406

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C(C)(C)c7ccccc7)cc6)c6ccc(C(C)(C)c7ccccc7)cc6)c6ccccc6c45)c3c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is KULACSZNYJCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72N2O2/c1-83(2,57-25-13-9-14-26-57)61-37-45-65(46-38-61)87(66-47-39-62(40-48-66)84(3,4)58-27-15-10-16-28-58)75-55-77-79(71-35-23-21-33-69(71)75)73-53-54-74-80-72-36-24-22-34-70(72)76(56-78(80)90-82(74)81(73)89-77)88(67-49-41-63(42-50-67)85(5,6)59-29-17-11-18-30-59)68-51-43-64(44-52-68)86(7,8)60-31-19-12-20-32-60/h9-56H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1165.53 g/mol, XLogP of 24.03, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155359449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).