4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

C36H23N3 — CID 139504777

IUPAC4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccc3c5ccccc5n(-c5ccccc5)c3c24)cc1
InChIInChI=1S/C36H23N3/c1-3-11-23(12-4-1)38-32-17-9-8-16-26(32)28-21-29-31(22-34(28)38)37-30-20-19-27-25-15-7-10-18-33(25)39(36(27)35(29)30)24-13-5-2-6-14-24/h1-22,37H
InChIKeyDZADUVXCCRWLML-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.52
Rot. Bonds2

About 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 139504777) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID139504777
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccc3c5ccccc5n(-c5ccccc5)c3c24)cc1
InChIInChI=1S/C36H23N3/c1-3-11-23(12-4-1)38-32-17-9-8-16-26(32)28-21-29-31(22-34(28)38)37-30-20-19-27-25-15-7-10-18-33(25)39(36(27)35(29)30)24-13-5-2-6-14-24/h1-22,37H
InChIKeyDZADUVXCCRWLML-UHFFFAOYSA-N
XLogP9.52
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

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
CID 139504800
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
9-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361345
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187

Frequently Asked Questions

What is the IUPAC name of 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (CID 139504777) is 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)[nH]c2ccc3c5ccccc5n(-c5ccccc5)c3c24)cc1.
What is the InChIKey of 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is DZADUVXCCRWLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-3-11-23(12-4-1)38-32-17-9-8-16-26(32)28-21-29-31(22-34(28)38)37-30-20-19-27-25-15-7-10-18-33(25)39(36(27)35(29)30)24-13-5-2-6-14-24/h1-22,37H.
What are the key properties of 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 497.60 g/mol, XLogP of 9.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 139504777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).