11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C56H55N5 — CID 140754815

IUPAC11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)C(C)(C)c1cccnc1N3c1cc(N3c4ccccc4C(C)(C)c4ccc(N5c6ccccc6C(C)(C)c6cccnc65)cc43)ccc1C2(C)C
InChIInChI=1S/C56H55N5/c1-52(2,3)34-30-43-49-44(31-34)56(10,11)42-21-17-29-58-51(42)61(49)48-32-35(24-26-40(48)55(43,8)9)59-45-22-14-12-18-37(45)53(4,5)39-27-25-36(33-47(39)59)60-46-23-15-13-19-38(46)54(6,7)41-20-16-28-57-50(41)60/h12-33H,1-11H3
InChIKeyCQEJFTBNVYWDNL-UHFFFAOYSA-N
MW798.09 g/mol
LogP14.74
Rot. Bonds2

About 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 140754815) has the molecular formula C56H55N5 and a molecular weight of 798.09 g/mol. Its IUPAC name is 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID140754815
Molecular FormulaC56H55N5
Molecular Weight798.09 g/mol
Exact Mass797.45
IUPAC Name11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)C(C)(C)c1cccnc1N3c1cc(N3c4ccccc4C(C)(C)c4ccc(N5c6ccccc6C(C)(C)c6cccnc65)cc43)ccc1C2(C)C
InChIInChI=1S/C56H55N5/c1-52(2,3)34-30-43-49-44(31-34)56(10,11)42-21-17-29-58-51(42)61(49)48-32-35(24-26-40(48)55(43,8)9)59-45-22-14-12-18-37(45)53(4,5)39-27-25-36(33-47(39)59)60-46-23-15-13-19-38(46)54(6,7)41-20-16-28-57-50(41)60/h12-33H,1-11H3
InChIKeyCQEJFTBNVYWDNL-UHFFFAOYSA-N
XLogP14.74
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.09
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

19-tert-butyl-5-(11-tert-butyl-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-18-yl)-12,12,16,16,22,22-hexamethyl-1,5,27-triazaheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23(28),24,26-dodecaene
CID 140754922
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
26-tert-butyl-5,5,23,23-tetramethyl-12-(3-phenylphenyl)-12,16,18-triazaheptacyclo[14.11.1.02,15.04,13.06,11.017,22.024,28]octacosa-1(28),2,4(13),6,8,10,14,17(22),18,20,24,26-dodecaene
CID 140755136
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
CID 159267154
CID 159267154
CID 161065196
CID 161065196
10-(4-tert-butyl-2-pyridinyl)-14-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 126653688
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
2,6,6,24,24-pentamethyl-13,17,19-triazaoctacyclo[15.11.1.02,28.03,16.05,14.07,12.018,23.025,29]nonacosa-1(28),3(16),4,7,9,11,14,18(23),19,21,25(29),26-dodecaene
CID 134560769
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
CID 145348376
9,9-dimethyl-3-(5-methyl-1H-pyrazol-3-yl)-10-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]acridine
CID 140716309
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 140754815) is 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is CC(C)(C)c1cc2c3c(c1)C(C)(C)c1cccnc1N3c1cc(N3c4ccccc4C(C)(C)c4ccc(N5c6ccccc6C(C)(C)c6cccnc65)cc43)ccc1C2(C)C.
What is the InChIKey of 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is CQEJFTBNVYWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H55N5/c1-52(2,3)34-30-43-49-44(31-34)56(10,11)42-21-17-29-58-51(42)61(49)48-32-35(24-26-40(48)55(43,8)9)59-45-22-14-12-18-37(45)53(4,5)39-27-25-36(33-47(39)59)60-46-23-15-13-19-38(46)54(6,7)41-20-16-28-57-50(41)60/h12-33H,1-11H3.
What are the key properties of 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 798.09 g/mol, XLogP of 14.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-18-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-9,9-dimethylacridin-10-yl]-8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 140754815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).