18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene

C48H30N6 — CID 146390402

IUPAC18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccc6ccccc6c5-n5c4nc4c6ccccc6ccc45)c3)n2)cc1
InChIInChI=1S/C48H30N6/c1-3-16-33(17-4-1)45-50-46(34-18-5-2-6-19-34)52-47(51-45)35-20-13-21-36(30-35)53-41-25-12-11-24-39(41)40-28-26-32-15-8-10-23-38(32)44(40)54-42-29-27-31-14-7-9-22-37(31)43(42)49-48(53)54/h1-30H
InChIKeyJVXXNVSETSDKGK-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.97
Rot. Bonds4

About 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene

18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene (PubChem CID 146390402) has the molecular formula C48H30N6 and a molecular weight of 690.81 g/mol. Its IUPAC name is 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene.

Molecular Properties

Compound Name18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene
PubChem CID146390402
Molecular FormulaC48H30N6
Molecular Weight690.81 g/mol
Exact Mass690.25
IUPAC Name18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccc6ccccc6c5-n5c4nc4c6ccccc6ccc45)c3)n2)cc1
InChIInChI=1S/C48H30N6/c1-3-16-33(17-4-1)45-50-46(34-18-5-2-6-19-34)52-47(51-45)35-20-13-21-36(30-35)53-41-25-12-11-24-39(41)40-28-26-32-15-8-10-23-38(32)44(40)54-42-29-27-31-14-7-9-22-37(31)43(42)49-48(53)54/h1-30H
InChIKeyJVXXNVSETSDKGK-UHFFFAOYSA-N
XLogP11.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),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

11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 162037057
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
CID 118363438
14-fluoranthen-3-yl-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 146390498
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(4-phenylquinazolin-2-yl)-2,9,11-triazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 158730561
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.021,26]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.018,23]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 158498999
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 155788573
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
17-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-17-azahexacyclo[16.8.0.02,10.03,8.011,16.021,26]hexacosa-1(18),2(10),3,5,7,11,13,15,19,21,23,25-dodecaene
CID 134369892
17-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-oxa-17-azahexacyclo[16.8.0.02,10.04,9.011,16.021,26]hexacosa-1(18),2(10),4,6,8,11,13,15,19,21,23,25-dodecaene
CID 134369887
14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
CID 146390254
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170369871
14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397156

Frequently Asked Questions

What is the IUPAC name of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene?
The IUPAC name of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene (CID 146390402) is 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene.
What is the SMILES notation for 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene?
The canonical SMILES for 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccc6ccccc6c5-n5c4nc4c6ccccc6ccc45)c3)n2)cc1.
What is the InChIKey of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene?
The InChIKey is JVXXNVSETSDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6/c1-3-16-33(17-4-1)45-50-46(34-18-5-2-6-19-34)52-47(51-45)35-20-13-21-36(30-35)53-41-25-12-11-24-39(41)40-28-26-32-15-8-10-23-38(32)44(40)54-42-29-27-31-14-7-9-22-37(31)43(42)49-48(53)54/h1-30H.
What are the key properties of 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene?
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene has a molecular weight of 690.81 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18,20-triazaheptacyclo[17.11.0.02,11.03,8.012,17.021,30.022,27]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene is sourced from PubChem (CID 146390402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).