4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C48H41N3Sn — CID 140848770

IUPAC4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1ccc(N2c3cc(C)cc4c3[Sn]3(c5ccccc5)c5c2ccc(C)c5N(c2ccc(C)cc2)c2c(C)ccc(c23)N4c2ccc(C)cc2)cc1
InChIInChI=1S/C42H36N3.C6H5.Sn/c1-28-7-15-34(16-8-28)43-37-21-13-32(5)41(26-37)45(36-19-11-30(3)12-20-36)42-27-38(22-14-33(42)6)44(35-17-9-29(2)10-18-35)40-24-31(4)23-39(43)25-40;1-2-4-6-5-3-1;/h7-24H,1-6H3;1-5H;
InChIKeyICGXULXFABFYAL-UHFFFAOYSA-N
MW778.59 g/mol
LogP10.26
Rot. Bonds4

About 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 140848770) has the molecular formula C48H41N3Sn and a molecular weight of 778.59 g/mol. Its IUPAC name is 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID140848770
Molecular FormulaC48H41N3Sn
Molecular Weight778.59 g/mol
Exact Mass779.23
IUPAC Name4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1ccc(N2c3cc(C)cc4c3[Sn]3(c5ccccc5)c5c2ccc(C)c5N(c2ccc(C)cc2)c2c(C)ccc(c23)N4c2ccc(C)cc2)cc1
InChIInChI=1S/C42H36N3.C6H5.Sn/c1-28-7-15-34(16-8-28)43-37-21-13-32(5)41(26-37)45(36-19-11-30(3)12-20-36)42-27-38(22-14-33(42)6)44(35-17-9-29(2)10-18-35)40-24-31(4)23-39(43)25-40;1-2-4-6-5-3-1;/h7-24H,1-6H3;1-5H;
InChIKeyICGXULXFABFYAL-UHFFFAOYSA-N
XLogP10.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.59
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

5,11,17-tri(carbazol-9-yl)-22-(4-methylphenyl)-1-phenyl-8,14-dioxa-22-aza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154595318
17-methyl-5,11-bis(naphtho[2,3-b][1]benzofuran-2-yl)-1,14,22-triphenyl-8-oxa-14,22-diaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 140848883
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
4,12-dimethyl-8-(4-methylphenyl)-14-(3,4,5-trimethylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 156662614
10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
CID 58556165
4,8,14,23,27,31-hexamethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-11,17,20,34,36,38-hexaza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene
CID 140849542
2,8-dimethyl-5-phenyl-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinine
CID 20746431
5,11,17-trimethyl-8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-stanna-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 153424975
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
11-methyl-4,18-bis(2-phenylphenyl)-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 165152756
N-[4-[2,3-dimethyl-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]benzo[b]phenazin-12-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 20767452
2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
CID 160942260

Frequently Asked Questions

What is the IUPAC name of 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 140848770) is 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1ccc(N2c3cc(C)cc4c3[Sn]3(c5ccccc5)c5c2ccc(C)c5N(c2ccc(C)cc2)c2c(C)ccc(c23)N4c2ccc(C)cc2)cc1.
What is the InChIKey of 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is ICGXULXFABFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N3.C6H5.Sn/c1-28-7-15-34(16-8-28)43-37-21-13-32(5)41(26-37)45(36-19-11-30(3)12-20-36)42-27-38(22-14-33(42)6)44(35-17-9-29(2)10-18-35)40-24-31(4)23-39(43)25-40;1-2-4-6-5-3-1;/h7-24H,1-6H3;1-5H;.
What are the key properties of 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 778.59 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,18-trimethyl-8,14,22-tris(4-methylphenyl)-1-phenyl-8,14,22-triaza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 140848770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).