10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine

C58H44N2O2 — CID 149218096

IUPAC10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine
SMILESCc1c(C)c2c3cc4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3cc12
InChIInChI=1S/C58H44N2O2/c1-33-34(2)55-54(42-30-36-24-26-40(28-38(36)32-52(42)61-55)60-49-21-13-9-17-45(49)58(5,6)46-18-10-14-22-50(46)60)56-53(33)41-29-35-23-25-39(27-37(35)31-51(41)62-56)59-47-19-11-7-15-43(47)57(3,4)44-16-8-12-20-48(44)59/h7-32H,1-6H3
InChIKeyXHWZVLRRAMMGRA-UHFFFAOYSA-N
MW801.00 g/mol
LogP16.63
Rot. Bonds2

About 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine

10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine (PubChem CID 149218096) has the molecular formula C58H44N2O2 and a molecular weight of 801.00 g/mol. Its IUPAC name is 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine
PubChem CID149218096
Molecular FormulaC58H44N2O2
Molecular Weight801.00 g/mol
Exact Mass800.34
IUPAC Name10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine
SMILESCc1c(C)c2c3cc4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3cc12
InChIInChI=1S/C58H44N2O2/c1-33-34(2)55-54(42-30-36-24-26-40(28-38(36)32-52(42)61-55)60-49-21-13-9-17-45(49)58(5,6)46-18-10-14-22-50(46)60)56-53(33)41-29-35-23-25-39(27-37(35)31-51(41)62-56)59-47-19-11-7-15-43(47)57(3,4)44-16-8-12-20-48(44)59/h7-32H,1-6H3
InChIKeyXHWZVLRRAMMGRA-UHFFFAOYSA-N
XLogP16.63
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.00
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine
CID 153179287
3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126657797
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
CID 164974789
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139460040
5-[9-(9,9-dimethylacridin-10-yl)-3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(23),19,21,24,26,28-tetradecaen-21-yl]-10-phenylphenazine
CID 154600433
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361604
10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773

Frequently Asked Questions

What is the IUPAC name of 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine (CID 149218096) is 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine is Cc1c(C)c2c3cc4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3cc12.
What is the InChIKey of 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine?
The InChIKey is XHWZVLRRAMMGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O2/c1-33-34(2)55-54(42-30-36-24-26-40(28-38(36)32-52(42)61-55)60-49-21-13-9-17-45(49)58(5,6)46-18-10-14-22-50(46)60)56-53(33)41-29-35-23-25-39(27-37(35)31-51(41)62-56)59-47-19-11-7-15-43(47)57(3,4)44-16-8-12-20-48(44)59/h7-32H,1-6H3.
What are the key properties of 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine?
10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine has a molecular weight of 801.00 g/mol, XLogP of 16.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine is sourced from PubChem (CID 149218096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).