24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene

C49H34N4O2 — CID 163543654

IUPAC24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
SMILESc1ccc(C2N=C(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)Oc5c(ccc6ccccc56)O7)c4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N4O2/c1-3-14-32(15-4-1)47-50-48(33-16-5-2-6-17-33)52-49(51-47)36-20-11-18-34(29-36)35-19-12-21-37(30-35)53-41-24-10-9-23-39(41)40-26-28-43-46(44(40)53)55-45-38-22-8-7-13-31(38)25-27-42(45)54-43/h1-30,47-48,50H,(H,51,52)
InChIKeyFDEIPBLWYSOHDZ-UHFFFAOYSA-N
MW710.84 g/mol
LogP11.84
Rot. Bonds5

About 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene

24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene (PubChem CID 163543654) has the molecular formula C49H34N4O2 and a molecular weight of 710.84 g/mol. Its IUPAC name is 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene.

Molecular Properties

Compound Name24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
PubChem CID163543654
Molecular FormulaC49H34N4O2
Molecular Weight710.84 g/mol
Exact Mass710.27
IUPAC Name24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
SMILESc1ccc(C2N=C(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)Oc5c(ccc6ccccc56)O7)c4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C49H34N4O2/c1-3-14-32(15-4-1)47-50-48(33-16-5-2-6-17-33)52-49(51-47)36-20-11-18-34(29-36)35-19-12-21-37(30-35)53-41-24-10-9-23-39(41)40-26-28-43-46(44(40)53)55-45-38-22-8-7-13-31(38)25-27-42(45)54-43/h1-30,47-48,50H,(H,51,52)
InChIKeyFDEIPBLWYSOHDZ-UHFFFAOYSA-N
XLogP11.84
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene 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

12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-1,7-diphenyl-2-propan-2-ylcarbazole
CID 144963901
16-[3-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 137047687
10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
CID 130180958
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
24-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 145080034
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452

Frequently Asked Questions

What is the IUPAC name of 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene?
The IUPAC name of 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene (CID 163543654) is 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene.
What is the SMILES notation for 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene?
The canonical SMILES for 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene is c1ccc(C2N=C(c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c65)Oc5c(ccc6ccccc56)O7)c4)c3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene?
The InChIKey is FDEIPBLWYSOHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O2/c1-3-14-32(15-4-1)47-50-48(33-16-5-2-6-17-33)52-49(51-47)36-20-11-18-34(29-36)35-19-12-21-37(30-35)53-41-24-10-9-23-39(41)40-26-28-43-46(44(40)53)55-45-38-22-8-7-13-31(38)25-27-42(45)54-43/h1-30,47-48,50H,(H,51,52).
What are the key properties of 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene?
24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene has a molecular weight of 710.84 g/mol, XLogP of 11.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene is sourced from PubChem (CID 163543654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).