16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene

C44H29N5 — CID 134250369

IUPAC16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene
SMILESC1=Cc2c(n(-c3ccccc3)c3ccccc23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1
InChIInChI=1S/C44H29N5/c1-4-15-29(16-5-1)42-45-43(30-17-6-2-7-18-30)47-44(46-42)49-39-26-13-11-22-33(39)36-27-28-37-35(41(36)49)24-14-23-34-32-21-10-12-25-38(32)48(40(34)37)31-19-8-3-9-20-31/h1-23,25-28H,24H2
InChIKeyRPSDOLHCLWKAKV-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.48
Rot. Bonds4

About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene

16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene (PubChem CID 134250369) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene.

Molecular Properties

Compound Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene
PubChem CID134250369
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene
SMILESC1=Cc2c(n(-c3ccccc3)c3ccccc23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1
InChIInChI=1S/C44H29N5/c1-4-15-29(16-5-1)42-45-43(30-17-6-2-7-18-30)47-44(46-42)49-39-26-13-11-22-33(39)36-27-28-37-35(41(36)49)24-14-23-34-32-21-10-12-25-38(32)48(40(34)37)31-19-8-3-9-20-31/h1-23,25-28H,24H2
InChIKeyRPSDOLHCLWKAKV-UHFFFAOYSA-N
XLogP10.48
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene with MolForge

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Related Compounds

6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 59413482
1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene (CID 134250369) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene is C1=Cc2c(n(-c3ccccc3)c3ccccc23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene?
The InChIKey is RPSDOLHCLWKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-15-29(16-5-1)42-45-43(30-17-6-2-7-18-30)47-44(46-42)49-39-26-13-11-22-33(39)36-27-28-37-35(41(36)49)24-14-23-34-32-21-10-12-25-38(32)48(40(34)37)31-19-8-3-9-20-31/h1-23,25-28H,24H2.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene has a molecular weight of 627.75 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,16-diazahexacyclo[12.11.0.02,10.04,9.015,23.017,22]pentacosa-1(14),2(10),4,6,8,11,15(23),17,19,21,24-undecaene is sourced from PubChem (CID 134250369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).