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

C24H22N2 — CID 70880222

IUPAC8-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
SMILESCC(C)c1cccc2c1-n1c(-c3ccccc3)nc3cccc(c31)C2C
InChIInChI=1S/C24H22N2/c1-15(2)18-11-7-12-19-16(3)20-13-8-14-21-23(20)26(22(18)19)24(25-21)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyDGRCTYITVZVHST-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.28
Rot. Bonds2

About 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

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 (PubChem CID 70880222) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID70880222
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name8-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
SMILESCC(C)c1cccc2c1-n1c(-c3ccccc3)nc3cccc(c31)C2C
InChIInChI=1S/C24H22N2/c1-15(2)18-11-7-12-19-16(3)20-13-8-14-21-23(20)26(22(18)19)24(25-21)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyDGRCTYITVZVHST-UHFFFAOYSA-N
XLogP6.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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CID 70887310
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
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
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
9-methyl-4-(2-phenylbenzimidazol-1-yl)-1,3-di(propan-2-yl)carbazole
CID 58400928
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-9-ethyl-1-methylcarbazole
CID 156658357
9-methyl-1-(2-phenylbenzimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc2c1-n1c(-c3ccccc3)nc3cccc(c31)C2C.
What is the InChIKey of 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?
The InChIKey is DGRCTYITVZVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-15(2)18-11-7-12-19-16(3)20-13-8-14-21-23(20)26(22(18)19)24(25-21)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 338.45 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70880222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).