13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C47H29N5O — CID 147101009

IUPAC13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc7c(cn6)oc6c8ccccc8ncc76)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N5O/c1-3-10-30(11-4-1)31-20-24-35(25-21-31)46-50-45(34-12-5-2-6-13-34)51-47(52-46)37-15-9-14-36(26-37)32-18-22-33(23-19-32)42-27-39-40-28-48-41-17-8-7-16-38(41)44(40)53-43(39)29-49-42/h1-29H
InChIKeyBKQRDFVBQQHUOC-UHFFFAOYSA-N
MW679.78 g/mol
LogP11.72
Rot. Bonds6

About 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 147101009) has the molecular formula C47H29N5O and a molecular weight of 679.78 g/mol. Its IUPAC name is 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID147101009
Molecular FormulaC47H29N5O
Molecular Weight679.78 g/mol
Exact Mass679.24
IUPAC Name13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc7c(cn6)oc6c8ccccc8ncc76)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N5O/c1-3-10-30(11-4-1)31-20-24-35(25-21-31)46-50-45(34-12-5-2-6-13-34)51-47(52-46)37-15-9-14-36(26-37)32-18-22-33(23-19-32)42-27-39-40-28-48-41-17-8-7-16-38(41)44(40)53-43(39)29-49-42/h1-29H
InChIKeyBKQRDFVBQQHUOC-UHFFFAOYSA-N
XLogP11.72
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene with MolForge

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Related Compounds

3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 168745980
19-[3-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-23-oxa-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 154600188
3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 157434664
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746066
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
3-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenanthro[9,10-c]pyridine
CID 122487385

Frequently Asked Questions

What is the IUPAC name of 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 147101009) is 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc7c(cn6)oc6c8ccccc8ncc76)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is BKQRDFVBQQHUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5O/c1-3-10-30(11-4-1)31-20-24-35(25-21-31)46-50-45(34-12-5-2-6-13-34)51-47(52-46)37-15-9-14-36(26-37)32-18-22-33(23-19-32)42-27-39-40-28-48-41-17-8-7-16-38(41)44(40)53-43(39)29-49-42/h1-29H.
What are the key properties of 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 679.78 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 147101009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).