21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene

C50H28N2 — CID 134948663

IUPAC21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene
SMILESc1ccc(-c2c3cccc4c3c(c3[nH]c5cc6[nH]c7c8c9c(cccc9c(-c9ccccc9)c7c6cc5c23)-c2ccccc2-8)-c2ccccc2-4)cc1
InChIInChI=1S/C50H28N2/c1-3-13-27(14-4-1)41-35-23-11-21-31-29-17-7-9-19-33(29)45(43(31)35)49-47(41)37-25-38-40(26-39(37)51-49)52-50-46-34-20-10-8-18-30(34)32-22-12-24-36(44(32)46)42(48(38)50)28-15-5-2-6-16-28/h1-26,51-52H
InChIKeyRDFFWEPSIYVTMN-UHFFFAOYSA-N
MW656.79 g/mol
LogP13.89
Rot. Bonds2

About 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene

21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene (PubChem CID 134948663) has the molecular formula C50H28N2 and a molecular weight of 656.79 g/mol. Its IUPAC name is 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene.

Molecular Properties

Compound Name21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene
PubChem CID134948663
Molecular FormulaC50H28N2
Molecular Weight656.79 g/mol
Exact Mass656.23
IUPAC Name21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene
SMILESc1ccc(-c2c3cccc4c3c(c3[nH]c5cc6[nH]c7c8c9c(cccc9c(-c9ccccc9)c7c6cc5c23)-c2ccccc2-8)-c2ccccc2-4)cc1
InChIInChI=1S/C50H28N2/c1-3-13-27(14-4-1)41-35-23-11-21-31-29-17-7-9-19-33(29)45(43(31)35)49-47(41)37-25-38-40(26-39(37)51-49)52-50-46-34-20-10-8-18-30(34)32-22-12-24-36(44(32)46)42(48(38)50)28-15-5-2-6-16-28/h1-26,51-52H
InChIKeyRDFFWEPSIYVTMN-UHFFFAOYSA-N
XLogP13.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 513.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene 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

6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
1,2,3,4-tetraphenyltetraphenylene
CID 12596759
1-(2-phenanthren-1-ylphenyl)-2,3-diphenylfluoranthene
CID 166133552
4,10-bis(3-chloronaphthalen-2-yl)-6,12-diphenyl-5,11-dihydroindolo[3,2-b]carbazole
CID 146263324
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160942
7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
CID 59080775
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
6-phenyl-5H-benzo[b]carbazole
CID 10756140
13-azaheptacyclo[13.10.2.02,14.03,12.05,10.019,27.022,26]heptacosa-1(25),2(14),3,5,7,9,11,15,17,19(27),20,22(26),23-tridecaene
CID 122489101
6,9-bis(2-methylphenyl)-20,27-diphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;ethane
CID 143896956

Frequently Asked Questions

What is the IUPAC name of 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene?
The IUPAC name of 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene (CID 134948663) is 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene.
What is the SMILES notation for 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene?
The canonical SMILES for 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene is c1ccc(-c2c3cccc4c3c(c3[nH]c5cc6[nH]c7c8c9c(cccc9c(-c9ccccc9)c7c6cc5c23)-c2ccccc2-8)-c2ccccc2-4)cc1.
What is the InChIKey of 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene?
The InChIKey is RDFFWEPSIYVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2/c1-3-13-27(14-4-1)41-35-23-11-21-31-29-17-7-9-19-33(29)45(43(31)35)49-47(41)37-25-38-40(26-39(37)51-49)52-50-46-34-20-10-8-18-30(34)32-22-12-24-36(44(32)46)42(48(38)50)28-15-5-2-6-16-28/h1-26,51-52H.
What are the key properties of 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene?
21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene has a molecular weight of 656.79 g/mol, XLogP of 13.89, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 21,27-diphenyl-3,7-diazaundecacyclo[26.10.1.19,16.02,26.04,25.06,23.08,22.010,15.032,39.033,38.020,40]tetraconta-1,4,6(23),8,10,12,14,16(40),17,19,21,24,26,28,30,32(39),33,35,37-nonadecaene is sourced from PubChem (CID 134948663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).