2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine

C130H87N9O3 — CID 160834708

IUPAC2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1oc3ccccc3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O.2C42H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-26-36-40(29-32)50-39-28-27-38-41(42(36)39)35-23-13-14-24-37(35)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-42(2)33-22-11-9-20-30(33)36-34(42)25-32(38-37(36)31-21-10-12-23-35(31)46-38)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)33-19-11-9-17-30(33)36-34(42)25-32(38-37(36)31-18-10-12-20-35(31)46-38)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28/h1-29H;2*3-25H,1-2H3
InChIKeySHGLFCKOKDIINV-UHFFFAOYSA-N
MW1823.19 g/mol
LogP32.63
Rot. Bonds13

About 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine

2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 160834708) has the molecular formula C130H87N9O3 and a molecular weight of 1823.19 g/mol. Its IUPAC name is 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID160834708
Molecular FormulaC130H87N9O3
Molecular Weight1823.19 g/mol
Exact Mass1821.69
IUPAC Name2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1oc3ccccc3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O.2C42H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-26-36-40(29-32)50-39-28-27-38-41(42(36)39)35-23-13-14-24-37(35)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-42(2)33-22-11-9-20-30(33)36-34(42)25-32(38-37(36)31-21-10-12-23-35(31)46-38)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)33-19-11-9-17-30(33)36-34(42)25-32(38-37(36)31-18-10-12-20-35(31)46-38)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28/h1-29H;2*3-25H,1-2H3
InChIKeySHGLFCKOKDIINV-UHFFFAOYSA-N
XLogP32.63
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.19
LogP ≤ 532.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 162166396
5-[10-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159108264
5-[10-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314388
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2-(9,9-dimethylfluoren-4-yl)-4-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134217984
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(10,10-diphenyl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-6-phenyl-1,3,5-triazine
CID 176587134
2-dibenzofuran-3-yl-4-(7,7-dimethylbenzo[c]fluoren-5-yl)-6-phenyl-1,3,5-triazine
CID 155474303
2-[4-(14,14-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140939385
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine (CID 160834708) is 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1)c1oc3ccccc3c21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SHGLFCKOKDIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.2C42H29N3O/c1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-26-36-40(29-32)50-39-28-27-38-41(42(36)39)35-23-13-14-24-37(35)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34;1-42(2)33-22-11-9-20-30(33)36-34(42)25-32(38-37(36)31-21-10-12-23-35(31)46-38)28-18-13-19-29(24-28)41-44-39(26-14-5-3-6-15-26)43-40(45-41)27-16-7-4-8-17-27;1-42(2)33-19-11-9-17-30(33)36-34(42)25-32(38-37(36)31-18-10-12-20-35(31)46-38)26-21-23-29(24-22-26)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28/h1-29H;2*3-25H,1-2H3.
What are the key properties of 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?
2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1823.19 g/mol, XLogP of 32.63, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160834708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).