10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine

C48H30N2O2 — CID 59182649

IUPAC10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)oc1c3oc4cc(N5c6ccccc6Cc6ccccc65)ccc4c3c3ccccc3c21
InChIInChI=1S/C48H30N2O2/c1-7-17-39-29(11-1)25-30-12-2-8-18-40(30)49(39)33-21-23-37-43(27-33)51-47-45(37)35-15-5-6-16-36(35)46-38-24-22-34(28-44(38)52-48(46)47)50-41-19-9-3-13-31(41)26-32-14-4-10-20-42(32)50/h1-24,27-28H,25-26H2
InChIKeyUSIGQWRWUIVXPL-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.39
Rot. Bonds2

About 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine

10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine (PubChem CID 59182649) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine.

Molecular Properties

Compound Name10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine
PubChem CID59182649
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)oc1c3oc4cc(N5c6ccccc6Cc6ccccc65)ccc4c3c3ccccc3c21
InChIInChI=1S/C48H30N2O2/c1-7-17-39-29(11-1)25-30-12-2-8-18-40(30)49(39)33-21-23-37-43(27-33)51-47-45(37)35-15-5-6-16-36(35)46-38-24-22-34(28-44(38)52-48(46)47)50-41-19-9-3-13-31(41)26-32-14-4-10-20-42(32)50/h1-24,27-28H,25-26H2
InChIKeyUSIGQWRWUIVXPL-UHFFFAOYSA-N
XLogP13.39
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine?
The IUPAC name of 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine (CID 59182649) is 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine.
What is the SMILES notation for 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine?
The canonical SMILES for 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)oc1c3oc4cc(N5c6ccccc6Cc6ccccc65)ccc4c3c3ccccc3c21.
What is the InChIKey of 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine?
The InChIKey is USIGQWRWUIVXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-7-17-39-29(11-1)25-30-12-2-8-18-40(30)49(39)33-21-23-37-43(27-33)51-47-45(37)35-15-5-6-16-36(35)46-38-24-22-34(28-44(38)52-48(46)47)50-41-19-9-3-13-31(41)26-32-14-4-10-20-42(32)50/h1-24,27-28H,25-26H2.
What are the key properties of 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine?
10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine has a molecular weight of 666.78 g/mol, XLogP of 13.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[21-(9H-acridin-10-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl]-9H-acridine is sourced from PubChem (CID 59182649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).