10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

C37H29N3 — CID 118652380

IUPAC10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4ccccc4)c4ccccc4n2)cnc1-3
InChIInChI=1S/C37H29N3/c1-36(2)28-14-10-16-38-34(28)26-18-30-27(19-29(26)36)35-31(37(30,3)4)17-23(21-39-35)33-20-25(22-11-6-5-7-12-22)24-13-8-9-15-32(24)40-33/h5-21H,1-4H3
InChIKeyLPJCMKAWRSALAY-UHFFFAOYSA-N
MW515.66 g/mol
LogP8.97
Rot. Bonds2

About 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene

10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (PubChem CID 118652380) has the molecular formula C37H29N3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
PubChem CID118652380
Molecular FormulaC37H29N3
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
SMILESCC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4ccccc4)c4ccccc4n2)cnc1-3
InChIInChI=1S/C37H29N3/c1-36(2)28-14-10-16-38-34(28)26-18-30-27(19-29(26)36)35-31(37(30,3)4)17-23(21-39-35)33-20-25(22-11-6-5-7-12-22)24-13-8-9-15-32(24)40-33/h5-21H,1-4H3
InChIKeyLPJCMKAWRSALAY-UHFFFAOYSA-N
XLogP8.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The IUPAC name of 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene (CID 118652380) is 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is CC1(C)c2cc3c(cc2-c2ncccc21)C(C)(C)c1cc(-c2cc(-c4ccccc4)c4ccccc4n2)cnc1-3.
What is the InChIKey of 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
The InChIKey is LPJCMKAWRSALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3/c1-36(2)28-14-10-16-38-34(28)26-18-30-27(19-29(26)36)35-31(37(30,3)4)17-23(21-39-35)33-20-25(22-11-6-5-7-12-22)24-13-8-9-15-32(24)40-33/h5-21H,1-4H3.
What are the key properties of 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene?
10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene has a molecular weight of 515.66 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,20,20-tetramethyl-7-(4-phenylquinolin-2-yl)-5,15-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 118652380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).