3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene

C28H20N2 — CID 122400259

IUPAC3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
SMILESCc1ccccc1-c1nc2cccc3c(-c4ccccc4)c(-c4ccccc4)c1n23
InChIInChI=1S/C28H20N2/c1-19-11-8-9-16-22(19)27-28-26(21-14-6-3-7-15-21)25(20-12-4-2-5-13-20)23-17-10-18-24(29-27)30(23)28/h2-18H,1H3
InChIKeyBXQNAZJSAOWNFA-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.23
Rot. Bonds3

About 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene

3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene (PubChem CID 122400259) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
PubChem CID122400259
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
SMILESCc1ccccc1-c1nc2cccc3c(-c4ccccc4)c(-c4ccccc4)c1n23
InChIInChI=1S/C28H20N2/c1-19-11-8-9-16-22(19)27-28-26(21-14-6-3-7-15-21)25(20-12-4-2-5-13-20)23-17-10-18-24(29-27)30(23)28/h2-18H,1H3
InChIKeyBXQNAZJSAOWNFA-UHFFFAOYSA-N
XLogP7.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(4-fluorophenyl)-3-methyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene
CID 132535021
5-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396959
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
5-phenanthren-9-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396472
5-fluoranthen-3-yl-9-phenyl-12-[12-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)chrysen-6-yl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396958
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The IUPAC name of 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene (CID 122400259) is 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene is Cc1ccccc1-c1nc2cccc3c(-c4ccccc4)c(-c4ccccc4)c1n23.
What is the InChIKey of 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
The InChIKey is BXQNAZJSAOWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-19-11-8-9-16-22(19)27-28-26(21-14-6-3-7-15-21)25(20-12-4-2-5-13-20)23-17-10-18-24(29-27)30(23)28/h2-18H,1H3.
What are the key properties of 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene?
3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene has a molecular weight of 384.48 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5,6-diphenyl-2,11-diazatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 122400259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).