15-dibenzofuran-4-yl-8-methyl-5-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

C36H28N2O — CID 167249512

IUPAC15-dibenzofuran-4-yl-8-methyl-5-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
SMILESCC(C)c1cc(-c2ccccc2)cc2c1-n1c(-c3cccc4c3oc3ccccc34)nc3cccc(c31)C2C
InChIInChI=1S/C36H28N2O/c1-21(2)29-19-24(23-11-5-4-6-12-23)20-30-22(3)25-14-10-17-31-34(25)38(33(29)30)36(37-31)28-16-9-15-27-26-13-7-8-18-32(26)39-35(27)28/h4-22H,1-3H3
InChIKeyBJGHQQZYYWRXNV-UHFFFAOYSA-N
MW504.63 g/mol
LogP9.85
Rot. Bonds3

About 15-dibenzofuran-4-yl-8-methyl-5-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

15-dibenzofuran-4-yl-8-methyl-5-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 (PubChem CID 167249512) has the molecular formula C36H28N2O and a molecular weight of 504.63 g/mol. Its IUPAC name is 15-dibenzofuran-4-yl-8-methyl-5-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.

Molecular Properties

Compound Name15-dibenzofuran-4-yl-8-methyl-5-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
PubChem CID167249512
Molecular FormulaC36H28N2O
Molecular Weight504.63 g/mol
Exact Mass504.22
IUPAC Name15-dibenzofuran-4-yl-8-methyl-5-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
SMILESCC(C)c1cc(-c2ccccc2)cc2c1-n1c(-c3cccc4c3oc3ccccc34)nc3cccc(c31)C2C
InChIInChI=1S/C36H28N2O/c1-21(2)29-19-24(23-11-5-4-6-12-23)20-30-22(3)25-14-10-17-31-34(25)38(33(29)30)36(37-31)28-16-9-15-27-26-13-7-8-18-32(26)39-35(27)28/h4-22H,1-3H3
InChIKeyBJGHQQZYYWRXNV-UHFFFAOYSA-N
XLogP9.85
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-dibenzofuran-4-yl-8-methyl-5-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 with MolForge

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Related Compounds

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
2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
CID 164824560
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
6-tert-butyl-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)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624322
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-h]quinazoline
CID 176817297
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
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

Frequently Asked Questions

What is the IUPAC name of 15-dibenzofuran-4-yl-8-methyl-5-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?
The IUPAC name of 15-dibenzofuran-4-yl-8-methyl-5-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 167249512) is 15-dibenzofuran-4-yl-8-methyl-5-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.
What is the SMILES notation for 15-dibenzofuran-4-yl-8-methyl-5-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?
The canonical SMILES for 15-dibenzofuran-4-yl-8-methyl-5-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 is CC(C)c1cc(-c2ccccc2)cc2c1-n1c(-c3cccc4c3oc3ccccc34)nc3cccc(c31)C2C.
What is the InChIKey of 15-dibenzofuran-4-yl-8-methyl-5-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?
The InChIKey is BJGHQQZYYWRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O/c1-21(2)29-19-24(23-11-5-4-6-12-23)20-30-22(3)25-14-10-17-31-34(25)38(33(29)30)36(37-31)28-16-9-15-27-26-13-7-8-18-32(26)39-35(27)28/h4-22H,1-3H3.
What are the key properties of 15-dibenzofuran-4-yl-8-methyl-5-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?
15-dibenzofuran-4-yl-8-methyl-5-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 has a molecular weight of 504.63 g/mol, XLogP of 9.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzofuran-4-yl-8-methyl-5-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 is sourced from PubChem (CID 167249512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).