16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene

C49H30N4 — CID 166849348

IUPAC16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c6ccccc6c6ccccc6c5c5c6ccccc6c6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C49H30N4/c1-3-15-31(16-4-1)47-50-48(32-17-5-2-6-18-32)52-49(51-47)33-27-29-34(30-28-33)53-45-41-25-13-9-21-37(41)35-19-7-11-23-39(35)43(45)44-40-24-12-8-20-36(40)38-22-10-14-26-42(38)46(44)53/h1-30H
InChIKeyPEHGVNSRSMIBJZ-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.58
Rot. Bonds4

About 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene

16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene (PubChem CID 166849348) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
PubChem CID166849348
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c6ccccc6c6ccccc6c5c5c6ccccc6c6ccccc6c54)cc3)n2)cc1
InChIInChI=1S/C49H30N4/c1-3-15-31(16-4-1)47-50-48(32-17-5-2-6-18-32)52-49(51-47)33-27-29-34(30-28-33)53-45-41-25-13-9-21-37(41)35-19-7-11-23-39(35)43(45)44-40-24-12-8-20-36(40)38-22-10-14-26-42(38)46(44)53/h1-30H
InChIKeyPEHGVNSRSMIBJZ-UHFFFAOYSA-N
XLogP12.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene 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

15-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166012
17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398671
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
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[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 118502129
9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913948
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
19-(4-phenylphenyl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 135162831
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913816
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 161311269

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene (CID 166849348) is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c6ccccc6c6ccccc6c5c5c6ccccc6c6ccccc6c54)cc3)n2)cc1.
What is the InChIKey of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene?
The InChIKey is PEHGVNSRSMIBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c1-3-15-31(16-4-1)47-50-48(32-17-5-2-6-18-32)52-49(51-47)33-27-29-34(30-28-33)53-45-41-25-13-9-21-37(41)35-19-7-11-23-39(35)43(45)44-40-24-12-8-20-36(40)38-22-10-14-26-42(38)46(44)53/h1-30H.
What are the key properties of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene?
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene has a molecular weight of 674.81 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 166849348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).