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

C69H42N2O3Sn — CID 140848883

IUPAC17-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
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c1[Sn]3(c1ccccc1)c1c(cc(-c3ccc5oc6cc7ccccc7cc6c5c3)cc1N2c1ccccc1)O4
InChIInChI=1S/C63H37N2O3.C6H5.Sn/c1-39-24-50-36-51(25-39)65(49-18-6-3-7-19-49)53-27-47(45-21-23-61-57(33-45)59-31-41-13-9-11-15-43(41)35-63(59)68-61)29-55(38-53)66-54-28-46(26-52(37-54)64(50)48-16-4-2-5-17-48)44-20-22-60-56(32-44)58-30-40-12-8-10-14-42(40)34-62(58)67-60;1-2-4-6-5-3-1;/h2-35H,1H3;1-5H;
InChIKeyPHFNOFDXRFKYSP-UHFFFAOYSA-N
MW1065.82 g/mol
LogP16.48
Rot. Bonds5

About 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

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 (PubChem CID 140848883) has the molecular formula C69H42N2O3Sn and a molecular weight of 1065.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID140848883
Molecular FormulaC69H42N2O3Sn
Molecular Weight1065.82 g/mol
Exact Mass1066.22
IUPAC Name17-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
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c1[Sn]3(c1ccccc1)c1c(cc(-c3ccc5oc6cc7ccccc7cc6c5c3)cc1N2c1ccccc1)O4
InChIInChI=1S/C63H37N2O3.C6H5.Sn/c1-39-24-50-36-51(25-39)65(49-18-6-3-7-19-49)53-27-47(45-21-23-61-57(33-45)59-31-41-13-9-11-15-43(41)35-63(59)68-61)29-55(38-53)66-54-28-46(26-52(37-54)64(50)48-16-4-2-5-17-48)44-20-22-60-56(32-44)58-30-40-12-8-10-14-42(40)34-62(58)67-60;1-2-4-6-5-3-1;/h2-35H,1H3;1-5H;
InChIKeyPHFNOFDXRFKYSP-UHFFFAOYSA-N
XLogP16.48
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.82
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

12,18-bis(4-tert-butylphenyl)-1,15-dimethyl-30-oxa-12,18-diaza-1-stannaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;14,22-bis(4-tert-butylphenyl)-1-methyl-5,11,17-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;5,11-ditert-butyl-14,22-bis(4-tert-butylphenyl)-17-carbazol-9-yl-1-phenyl-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;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;1-methyl-14,22-dinaphthalen-2-yl-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),15,17,19-nonaene;5,11,17-tri(carbazol-9-yl)-1-methyl-14,22-bis(4-methylphenyl)-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 159693174
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
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
11-methyl-22-(4-methylphenyl)-6,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-1-sulfanyl-8,14-dioxa-22-aza-1-phosphoniahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163643008
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
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
10,11,28,29-tetramethyl-14,32-diphenyl-7,18,25,36-tetraoxa-14,32-diazanonacyclo[19.15.0.03,19.04,17.06,15.08,13.022,35.024,33.026,31]hexatriaconta-1(21),2,4,6(15),8(13),9,11,16,19,22,24(33),26(31),27,29,34-pentadecaene
CID 163448314
2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
CID 126612202
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167687087
19-dibenzofuran-2-yl-16,22-diphenyl-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2,4(13),5,7,9,11,14,17,19,21(37),23,25(34),26,28,30,32,35-heptadecaene
CID 170670314
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c3c(c1)N(c1ccccc1)c1cc(-c4ccc5oc6cc7ccccc7cc6c5c4)cc4c1[Sn]3(c1ccccc1)c1c(cc(-c3ccc5oc6cc7ccccc7cc6c5c3)cc1N2c1ccccc1)O4.
What is the InChIKey of 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?
The InChIKey is PHFNOFDXRFKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N2O3.C6H5.Sn/c1-39-24-50-36-51(25-39)65(49-18-6-3-7-19-49)53-27-47(45-21-23-61-57(33-45)59-31-41-13-9-11-15-43(41)35-63(59)68-61)29-55(38-53)66-54-28-46(26-52(37-54)64(50)48-16-4-2-5-17-48)44-20-22-60-56(32-44)58-30-40-12-8-10-14-42(40)34-62(58)67-60;1-2-4-6-5-3-1;/h2-35H,1H3;1-5H;.
What are the key properties of 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?
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 has a molecular weight of 1065.82 g/mol, XLogP of 16.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140848883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).