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

C66H40N2O2 — CID 148742406

IUPAC11-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
SMILESc1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccccc3)c3ccc4ccc6ccccc6c4c3)c3ccccc3c25)cc1
InChIInChI=1S/C66H40N2O2/c1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)35-47)59-39-63-65(53-25-13-11-23-51(53)59)57-37-62-58(38-61(57)69-63)66-54-26-14-12-24-52(54)60(40-64(66)70-62)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)36-48/h1-40H
InChIKeyODCBJQOJJMNOQR-UHFFFAOYSA-N
MW893.06 g/mol
LogP19.34
Rot. Bonds6

About 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

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 (PubChem CID 148742406) has the molecular formula C66H40N2O2 and a molecular weight of 893.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID148742406
Molecular FormulaC66H40N2O2
Molecular Weight893.06 g/mol
Exact Mass892.31
IUPAC Name11-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
SMILESc1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccccc3)c3ccc4ccc6ccccc6c4c3)c3ccccc3c25)cc1
InChIInChI=1S/C66H40N2O2/c1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)35-47)59-39-63-65(53-25-13-11-23-51(53)59)57-37-62-58(38-61(57)69-63)66-54-26-14-12-24-52(54)60(40-64(66)70-62)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)36-48/h1-40H
InChIKeyODCBJQOJJMNOQR-UHFFFAOYSA-N
XLogP19.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.06
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
11-N,21-N-bis(1,3-benzodioxol-5-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
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N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
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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
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11-N,11-N,21-N,21-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccccc3)c3ccc4ccc6ccccc6c4c3)c3ccccc3c25)cc1.
What is the InChIKey of 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?
The InChIKey is ODCBJQOJJMNOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2/c1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)35-47)59-39-63-65(53-25-13-11-23-51(53)59)57-37-62-58(38-61(57)69-63)66-54-26-14-12-24-52(54)60(40-64(66)70-62)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)36-48/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 893.06 g/mol, XLogP of 19.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 148742406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).