8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C26H20N4 — CID 144848618

IUPAC8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESCC1(C)c2cccnc2-c2c1n(-c1nccc(-c3ccccc3)n1)c1ccccc21
InChIInChI=1S/C26H20N4/c1-26(2)19-12-8-15-27-23(19)22-18-11-6-7-13-21(18)30(24(22)26)25-28-16-14-20(29-25)17-9-4-3-5-10-17/h3-16H,1-2H3
InChIKeyUXQVGYOZKGOOTM-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.79
Rot. Bonds2

About 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848618) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID144848618
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESCC1(C)c2cccnc2-c2c1n(-c1nccc(-c3ccccc3)n1)c1ccccc21
InChIInChI=1S/C26H20N4/c1-26(2)19-12-8-15-27-23(19)22-18-11-6-7-13-21(18)30(24(22)26)25-28-16-14-20(29-25)17-9-4-3-5-10-17/h3-16H,1-2H3
InChIKeyUXQVGYOZKGOOTM-UHFFFAOYSA-N
XLogP5.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene 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

8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848581
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 162483651
5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 71234809
11,11-dimethyl-5-phenyl-2-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]indeno[1,2-b]carbazole
CID 90050448
9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126755686
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 129312503
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
3-(9-ethylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086417
9-(4,6-diphenylpyrimidin-2-yl)-18,18,21,21-tetramethyl-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635582

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848618) is 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is CC1(C)c2cccnc2-c2c1n(-c1nccc(-c3ccccc3)n1)c1ccccc21.
What is the InChIKey of 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is UXQVGYOZKGOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-26(2)19-12-8-15-27-23(19)22-18-11-6-7-13-21(18)30(24(22)26)25-28-16-14-20(29-25)17-9-4-3-5-10-17/h3-16H,1-2H3.
What are the key properties of 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 388.47 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).