3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

C26H20N4 — CID 54757875

IUPAC3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESCc1ccc(-c2cnc3c4ncc(-c5ccc(C)cc5)n4c4ccccc4n23)cc1
InChIInChI=1S/C26H20N4/c1-17-7-11-19(12-8-17)23-15-27-25-26-28-16-24(20-13-9-18(2)10-14-20)30(26)22-6-4-3-5-21(22)29(23)25/h3-16H,1-2H3
InChIKeyKIYUKWILRDMZGS-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.09
Rot. Bonds2

About 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (PubChem CID 54757875) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
PubChem CID54757875
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESCc1ccc(-c2cnc3c4ncc(-c5ccc(C)cc5)n4c4ccccc4n23)cc1
InChIInChI=1S/C26H20N4/c1-17-7-11-19(12-8-17)23-15-27-25-26-28-16-24(20-13-9-18(2)10-14-20)30(26)22-6-4-3-5-21(22)29(23)25/h3-16H,1-2H3
InChIKeyKIYUKWILRDMZGS-UHFFFAOYSA-N
XLogP6.09
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene with MolForge

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Related Compounds

5-ethyl-3,10-diphenyl-2,8,11-triaza-5-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 71615197
3-methyl-5-(4-methylphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 102589453
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
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3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
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3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717
1-methyl-2,5-bis(4-methylphenyl)imidazole
CID 138756997
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
1,2-bis(4-methylphenyl)indole
CID 151814608
2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
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3-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyridine
CID 170974550
6,9-bis(4-methylphenyl)-2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine
CID 86578056
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The IUPAC name of 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (CID 54757875) is 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.
What is the SMILES notation for 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The canonical SMILES for 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is Cc1ccc(-c2cnc3c4ncc(-c5ccc(C)cc5)n4c4ccccc4n23)cc1.
What is the InChIKey of 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The InChIKey is KIYUKWILRDMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-17-7-11-19(12-8-17)23-15-27-25-26-28-16-24(20-13-9-18(2)10-14-20)30(26)22-6-4-3-5-21(22)29(23)25/h3-16H,1-2H3.
What are the key properties of 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene has a molecular weight of 388.47 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is sourced from PubChem (CID 54757875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).