10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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

C50H36N4 — CID 118652389

IUPAC10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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(-c4ccc5cccnc5c4)nc(-c4cc5ccccc5c5ccccc45)c2)cnc1-3
InChIInChI=1S/C50H36N4/c1-49(2)40-16-10-20-52-47(40)38-26-42-39(27-41(38)49)48-43(50(42,3)4)22-33(28-53-48)32-24-45(31-18-17-29-12-9-19-51-44(29)23-31)54-46(25-32)37-21-30-11-5-6-13-34(30)35-14-7-8-15-36(35)37/h5-28H,1-4H3
InChIKeyWAYAHLNIPOKUCF-UHFFFAOYSA-N
MW692.87 g/mol
LogP12.34
Rot. Bonds3

About 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 118652389) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 CID118652389
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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(-c4ccc5cccnc5c4)nc(-c4cc5ccccc5c5ccccc45)c2)cnc1-3
InChIInChI=1S/C50H36N4/c1-49(2)40-16-10-20-52-47(40)38-26-42-39(27-41(38)49)48-43(50(42,3)4)22-33(28-53-48)32-24-45(31-18-17-29-12-9-19-51-44(29)23-31)54-46(25-32)37-21-30-11-5-6-13-34(30)35-14-7-8-15-36(35)37/h5-28H,1-4H3
InChIKeyWAYAHLNIPOKUCF-UHFFFAOYSA-N
XLogP12.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.87
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 118652389) is 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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(-c4ccc5cccnc5c4)nc(-c4cc5ccccc5c5ccccc45)c2)cnc1-3.
What is the InChIKey of 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 WAYAHLNIPOKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4/c1-49(2)40-16-10-20-52-47(40)38-26-42-39(27-41(38)49)48-43(50(42,3)4)22-33(28-53-48)32-24-45(31-18-17-29-12-9-19-51-44(29)23-31)54-46(25-32)37-21-30-11-5-6-13-34(30)35-14-7-8-15-36(35)37/h5-28H,1-4H3.
What are the key properties of 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 692.87 g/mol, XLogP of 12.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,20,20-tetramethyl-7-(2-phenanthren-9-yl-6-quinolin-7-yl-4-pyridinyl)-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 118652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).