25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene

C43H26N4 — CID 121386171

IUPAC25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc5ccccc5c5c6ccccc6n-4c35)n2)cc1
InChIInChI=1S/C43H26N4/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)30-23-24-38-35(26-30)32-19-9-10-20-33(32)36-25-29-17-7-8-18-31(29)39-34-21-11-12-22-37(34)47(38)40(36)39/h1-26H
InChIKeyCXFLCVOLZRFJOF-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.77
Rot. Bonds3

About 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene

25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene (PubChem CID 121386171) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene.

Molecular Properties

Compound Name25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene
PubChem CID121386171
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc5ccccc5c5c6ccccc6n-4c35)n2)cc1
InChIInChI=1S/C43H26N4/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)30-23-24-38-35(26-30)32-19-9-10-20-33(32)36-25-29-17-7-8-18-31(29)39-34-21-11-12-22-37(34)47(38)40(36)39/h1-26H
InChIKeyCXFLCVOLZRFJOF-UHFFFAOYSA-N
XLogP10.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene with MolForge

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Related Compounds

25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,11.05,10.012,29.017,22.023,28]nonacosa-2(11),3,5,7,9,12(29),13,15,17,19,21,23(28),24,26-tetradecaene
CID 121386184
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
9-[2-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155636664
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446911
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
5-[2-naphtho[1,2-b][1]benzothiol-6-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474737
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
CID 163893675
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061

Frequently Asked Questions

What is the IUPAC name of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene?
The IUPAC name of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene (CID 121386171) is 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene.
What is the SMILES notation for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene?
The canonical SMILES for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc5ccccc5c5c6ccccc6n-4c35)n2)cc1.
What is the InChIKey of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene?
The InChIKey is CXFLCVOLZRFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)30-23-24-38-35(26-30)32-19-9-10-20-33(32)36-25-29-17-7-8-18-31(29)39-34-21-11-12-22-37(34)47(38)40(36)39/h1-26H.
What are the key properties of 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene?
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene has a molecular weight of 598.71 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,7.08,29.09,14.017,22.023,28]nonacosa-2,4,6,8(29),9,11,13,15,17,19,21,23(28),24,26-tetradecaene is sourced from PubChem (CID 121386171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).