11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

C51H38BN3 — CID 168933421

IUPAC11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCc1cc(C)c(B2c3cc4c(cc3-c3ccc5c(c3N2c2ccccc2)c2ccccc2n5-c2ccccc2)c2ccccc2n4-c2ccccc2)c(C)c1
InChIInChI=1S/C51H38BN3/c1-33-29-34(2)50(35(3)30-33)52-44-32-48-43(39-23-13-15-25-45(39)54(48)37-19-9-5-10-20-37)31-42(44)40-27-28-47-49(51(40)55(52)38-21-11-6-12-22-38)41-24-14-16-26-46(41)53(47)36-17-7-4-8-18-36/h4-32H,1-3H3
InChIKeyVHZUVCYOFXZFSF-UHFFFAOYSA-N
MW703.70 g/mol
LogP11.73
Rot. Bonds4

About 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (PubChem CID 168933421) has the molecular formula C51H38BN3 and a molecular weight of 703.70 g/mol. Its IUPAC name is 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
PubChem CID168933421
Molecular FormulaC51H38BN3
Molecular Weight703.70 g/mol
Exact Mass703.32
IUPAC Name11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCc1cc(C)c(B2c3cc4c(cc3-c3ccc5c(c3N2c2ccccc2)c2ccccc2n5-c2ccccc2)c2ccccc2n4-c2ccccc2)c(C)c1
InChIInChI=1S/C51H38BN3/c1-33-29-34(2)50(35(3)30-33)52-44-32-48-43(39-23-13-15-25-45(39)54(48)37-19-9-5-10-20-37)31-42(44)40-27-28-47-49(51(40)55(52)38-21-11-6-12-22-38)41-24-14-16-26-46(41)53(47)36-17-7-4-8-18-36/h4-32H,1-3H3
InChIKeyVHZUVCYOFXZFSF-UHFFFAOYSA-N
XLogP11.73
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.70
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

33,38-diphenyl-15,33,38-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.024,39.025,37.026,34.027,32]tetraconta-1(40),3,5,7,9,11,13,16,18,20,22,24(39),25(37),26(34),27,29,31,35-octadecaene
CID 140834870
13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene
CID 171599814
24,34-diphenyl-15,24,34-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.023,38.025,37.027,35.028,33]tetraconta-1(22),3,5,7,9,11,13,16,18,20,23(38),25(37),26,28,30,32,35,39-octadecaene;27,37-diphenyl-15,27,37-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.023,38.024,36.026,34.028,33]tetraconta-1(22),3,5,7,9,11,13,16,18,20,23(38),24(36),25,28,30,32,34,39-octadecaene;28,38-diphenyl-15,28,38-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.024,39.025,37.027,35.029,34]tetraconta-1(40),3,5,7,9,11,13,16,18,20,22,24(39),25(37),26,29,31,33,35-octadecaene;29,39-diphenyl-15,29,39-triaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.025,40.026,38.028,36.030,35]tetraconta-1(22),3,5,7,9,11,13,16,18,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 157171565
16-methyl-32-(2-methylphenyl)-29-phenyl-13,29,32-triaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.019,31.022,30.023,28.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),19(31),20,22(30),23,25,27-pentadecaene
CID 174015182
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
11,15,17-triphenyl-11,15,17-triaza-16-boraheptacyclo[14.11.1.02,14.04,12.05,10.018,23.024,28]octacosa-1(27),2(14),3,5,7,9,12,18,20,22,24(28),25-dodecaene
CID 155614034
21-methyl-18,30-diphenyl-18,21,30-triazaoctacyclo[20.11.0.02,7.08,20.011,19.012,17.023,31.024,29]tritriaconta-1(22),2,4,6,8(20),9,11(19),12,14,16,23(31),24,26,28,32-pentadecaene
CID 139506231
2-methyl-9-phenylcarbazole
CID 59552741
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
2-methyl-4,9-diphenylcarbazole
CID 134488069
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The IUPAC name of 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (CID 168933421) is 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.
What is the SMILES notation for 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The canonical SMILES for 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is Cc1cc(C)c(B2c3cc4c(cc3-c3ccc5c(c3N2c2ccccc2)c2ccccc2n5-c2ccccc2)c2ccccc2n4-c2ccccc2)c(C)c1.
What is the InChIKey of 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The InChIKey is VHZUVCYOFXZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38BN3/c1-33-29-34(2)50(35(3)30-33)52-44-32-48-43(39-23-13-15-25-45(39)54(48)37-19-9-5-10-20-37)31-42(44)40-27-28-47-49(51(40)55(52)38-21-11-6-12-22-38)41-24-14-16-26-46(41)53(47)36-17-7-4-8-18-36/h4-32H,1-3H3.
What are the key properties of 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene has a molecular weight of 703.70 g/mol, XLogP of 11.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,16,25-triphenyl-15-(2,4,6-trimethylphenyl)-11,16,25-triaza-15-boraheptacyclo[15.11.0.02,14.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is sourced from PubChem (CID 168933421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).