4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene

C37H27N3 — CID 146428860

IUPAC4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene
SMILESCC12Cc3c(n(-c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5cc34)C=C1Nc1ccccc12
InChIInChI=1S/C37H27N3/c1-37-23-29-28-21-33-27(26-16-8-11-19-32(26)39(33)24-12-4-2-5-13-24)20-34(28)40(25-14-6-3-7-15-25)35(29)22-36(37)38-31-18-10-9-17-30(31)37/h2-22,38H,23H2,1H3
InChIKeyNSAJMAQAEINAKB-UHFFFAOYSA-N
MW513.64 g/mol
LogP9.01
Rot. Bonds2

About 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene

4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene (PubChem CID 146428860) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene.

Molecular Properties

Compound Name4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene
PubChem CID146428860
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene
SMILESCC12Cc3c(n(-c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5cc34)C=C1Nc1ccccc12
InChIInChI=1S/C37H27N3/c1-37-23-29-28-21-33-27(26-16-8-11-19-32(26)39(33)24-12-4-2-5-13-24)20-34(28)40(25-14-6-3-7-15-25)35(29)22-36(37)38-31-18-10-9-17-30(31)37/h2-22,38H,23H2,1H3
InChIKeyNSAJMAQAEINAKB-UHFFFAOYSA-N
XLogP9.01
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene with MolForge

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Related Compounds

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12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
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11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
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22-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087294
4-[4-(4-methyl-25-phenyl-5-thia-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),6,8,10,12,17,19,21,23,26-undecaen-15-yl)phenyl]sulfonylbenzonitrile
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CID 58059223
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene?
The IUPAC name of 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene (CID 146428860) is 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene.
What is the SMILES notation for 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene?
The canonical SMILES for 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene is CC12Cc3c(n(-c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5cc34)C=C1Nc1ccccc12.
What is the InChIKey of 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene?
The InChIKey is NSAJMAQAEINAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-37-23-29-28-21-33-27(26-16-8-11-19-32(26)39(33)24-12-4-2-5-13-24)20-34(28)40(25-14-6-3-7-15-25)35(29)22-36(37)38-31-18-10-9-17-30(31)37/h2-22,38H,23H2,1H3.
What are the key properties of 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene?
4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene has a molecular weight of 513.64 g/mol, XLogP of 9.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-15,25-diphenyl-11,15,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),5,7,9,12,17,19,21,23,26-undecaene is sourced from PubChem (CID 146428860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).