12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene

C32H26N4 — CID 176570038

IUPAC12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
SMILESCc1cncc(C)c2ccc([nH]2)c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc1C=C2
InChIInChI=1S/C32H26N4/c1-21-19-33-20-22(2)26-14-16-28(35-26)32(24-11-7-4-8-12-24)30-18-17-29(36-30)31(23-9-5-3-6-10-23)27-15-13-25(21)34-27/h3-20,34,36H,1-2H3/b21-19-,22-20-,25-21+,26-22-,31-27+,31-29-,32-28-,32-30-,33-19+,33-20+
InChIKeyFSUSMVYQOILPNS-SULKTCAMSA-N
MW466.59 g/mol
LogP8.12
Rot. Bonds2

About 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene

12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene (PubChem CID 176570038) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene.

Molecular Properties

Compound Name12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
PubChem CID176570038
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC Name12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
SMILESCc1cncc(C)c2ccc([nH]2)c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc1C=C2
InChIInChI=1S/C32H26N4/c1-21-19-33-20-22(2)26-14-16-28(35-26)32(24-11-7-4-8-12-24)30-18-17-29(36-30)31(23-9-5-3-6-10-23)27-15-13-25(21)34-27/h3-20,34,36H,1-2H3/b21-19-,22-20-,25-21+,26-22-,31-27+,31-29-,32-28-,32-30-,33-19+,33-20+
InChIKeyFSUSMVYQOILPNS-SULKTCAMSA-N
XLogP8.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene with MolForge

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Related Compounds

2,7,12,16-tetramethyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene
CID 121284949
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5-[3,5-dimethyl-6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)pyrazin-2-yl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 101445463
10,15,20-triphenyl-5-pyridin-3-yl-21,22-dihydroporphyrin
CID 10627615
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
13-methyl-2,7,12,16-tetraphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3(22),4,6,8,10,12,14,16,18-decaene
CID 142249274
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15-tris(4-methylphenyl)-20-pyridin-3-yl-21,23-dihydroporphyrin
CID 135590703
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278

Frequently Asked Questions

What is the IUPAC name of 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The IUPAC name of 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene (CID 176570038) is 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene.
What is the SMILES notation for 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The canonical SMILES for 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene is Cc1cncc(C)c2ccc([nH]2)c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2nc1C=C2.
What is the InChIKey of 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
The InChIKey is FSUSMVYQOILPNS-SULKTCAMSA-N. The full InChI is InChI=1S/C32H26N4/c1-21-19-33-20-22(2)26-14-16-28(35-26)32(24-11-7-4-8-12-24)30-18-17-29(36-30)31(23-9-5-3-6-10-23)27-15-13-25(21)34-27/h3-20,34,36H,1-2H3/b21-19-,22-20-,25-21+,26-22-,31-27+,31-29-,32-28-,32-30-,33-19+,33-20+.
What are the key properties of 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene?
12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene has a molecular weight of 466.59 g/mol, XLogP of 8.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16-dimethyl-2,7-diphenyl-14,20,21,22-tetrazatetracyclo[15.2.1.13,6.18,11]docosa-1,3,5,7,9,11,13,15,17(20),18-decaene is sourced from PubChem (CID 176570038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).