4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C45H27N5O — CID 149336821

IUPAC4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cnc3oc4c(-c5cccc6c(-c7ccc8ccc(-c9ccccn9)nc8c7)cccc56)nc(-c5ccccc5)nc4c3c2)cc1
InChIInChI=1S/C45H27N5O/c1-3-11-28(12-4-1)32-25-37-42-43(51-45(37)47-27-32)41(49-44(50-42)30-13-5-2-6-14-30)36-18-10-16-34-33(15-9-17-35(34)36)31-21-20-29-22-23-39(48-40(29)26-31)38-19-7-8-24-46-38/h1-27H
InChIKeyYDKCXXXKDMDXIK-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.20
Rot. Bonds5

About 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 149336821) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID149336821
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cnc3oc4c(-c5cccc6c(-c7ccc8ccc(-c9ccccn9)nc8c7)cccc56)nc(-c5ccccc5)nc4c3c2)cc1
InChIInChI=1S/C45H27N5O/c1-3-11-28(12-4-1)32-25-37-42-43(51-45(37)47-27-32)41(49-44(50-42)30-13-5-2-6-14-30)36-18-10-16-34-33(15-9-17-35(34)36)31-21-20-29-22-23-39(48-40(29)26-31)38-19-7-8-24-46-38/h1-27H
InChIKeyYDKCXXXKDMDXIK-UHFFFAOYSA-N
XLogP11.20
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

YM-201636
CID 9956222
4,4-dimethyl-8-N-propan-2-yl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642660
8-N-(3,5-dichloro-4-pyridinyl)-4,4-dimethyl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56589630
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067799
4-Morpholin-4-yl-2-phenyl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
CID 44426435
2-[[4,4-Dimethyl-13-(pyridin-3-ylmethylamino)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl]amino]ethanol
CID 56642530
8-N-ethyl-8-N,4,4-trimethyl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642658
8-N-ethyl-4,4-dimethyl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642659
6-(4-Methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57399193
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
CID 57400952
4,4-dimethyl-8-propyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 665947
4,4,8-trimethyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-amine
CID 666753

Frequently Asked Questions

What is the IUPAC name of 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 149336821) is 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cnc3oc4c(-c5cccc6c(-c7ccc8ccc(-c9ccccn9)nc8c7)cccc56)nc(-c5ccccc5)nc4c3c2)cc1.
What is the InChIKey of 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is YDKCXXXKDMDXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-11-28(12-4-1)32-25-37-42-43(51-45(37)47-27-32)41(49-44(50-42)30-13-5-2-6-14-30)36-18-10-16-34-33(15-9-17-35(34)36)31-21-20-29-22-23-39(48-40(29)26-31)38-19-7-8-24-46-38/h1-27H.
What are the key properties of 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 653.75 g/mol, XLogP of 11.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-diphenyl-6-[5-(2-pyridin-2-ylquinolin-7-yl)naphthalen-1-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 149336821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).