14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene

C29H26N2O2 — CID 153300418

IUPAC14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)nc2oc3oc4ccccc4c3c21
InChIInChI=1S/C29H26N2O2/c1-17(2)20-14-10-15-21(18(3)4)25(20)31-26-24-22-13-8-9-16-23(22)32-29(24)33-28(26)30-27(31)19-11-6-5-7-12-19/h5-18H,1-4H3
InChIKeyUPDKXFYZBMIJCS-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.43
Rot. Bonds4

About 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene

14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene (PubChem CID 153300418) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene.

Molecular Properties

Compound Name14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene
PubChem CID153300418
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)nc2oc3oc4ccccc4c3c21
InChIInChI=1S/C29H26N2O2/c1-17(2)20-14-10-15-21(18(3)4)25(20)31-26-24-22-13-8-9-16-23(22)32-29(24)33-28(26)30-27(31)19-11-6-5-7-12-19/h5-18H,1-4H3
InChIKeyUPDKXFYZBMIJCS-UHFFFAOYSA-N
XLogP8.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene with MolForge

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Related Compounds

12-[2,6-di(propan-2-yl)phenyl]-13-phenyl-16-oxa-12,14-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),13-heptaene;iridium
CID 153300411
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
CID 164825397
ethane;1-propan-2-yldibenzofuran
CID 142343182
8-methyl-15-phenyl-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 70880222
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-dibenzofuran-2-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 156658880
7-methyl-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176817261
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594

Frequently Asked Questions

What is the IUPAC name of 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene?
The IUPAC name of 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene (CID 153300418) is 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene.
What is the SMILES notation for 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene?
The canonical SMILES for 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)nc2oc3oc4ccccc4c3c21.
What is the InChIKey of 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene?
The InChIKey is UPDKXFYZBMIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-17(2)20-14-10-15-21(18(3)4)25(20)31-26-24-22-13-8-9-16-23(22)32-29(24)33-28(26)30-27(31)19-11-6-5-7-12-19/h5-18H,1-4H3.
What are the key properties of 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene?
14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene has a molecular weight of 434.54 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene is sourced from PubChem (CID 153300418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).