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

C67H42N4O2Sn — CID 154595318

IUPAC5,11,17-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
SMILESCc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3[Sn]3(c5ccccc5)c5c(cc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)O4)cc1
InChIInChI=1S/C61H37N4O2.C6H5.Sn/c1-39-26-28-40(29-27-39)62-41-30-43(63-56-20-8-2-14-50(56)51-15-3-9-21-57(51)63)34-46(32-41)66-48-36-45(65-60-24-12-6-18-54(60)55-19-7-13-25-61(55)65)37-49(38-48)67-47-33-42(62)31-44(35-47)64-58-22-10-4-16-52(58)53-17-5-11-23-59(53)64;1-2-4-6-5-3-1;/h2-31,34-37H,1H3;1-5H;
InChIKeySRRDSFKQJYZEOQ-UHFFFAOYSA-N
MW1053.81 g/mol
LogP14.66
Rot. Bonds5

About 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

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 (PubChem CID 154595318) has the molecular formula C67H42N4O2Sn and a molecular weight of 1053.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,11,17-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
PubChem CID154595318
Molecular FormulaC67H42N4O2Sn
Molecular Weight1053.81 g/mol
Exact Mass1054.23
IUPAC Name5,11,17-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
SMILESCc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3[Sn]3(c5ccccc5)c5c(cc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)O4)cc1
InChIInChI=1S/C61H37N4O2.C6H5.Sn/c1-39-26-28-40(29-27-39)62-41-30-43(63-56-20-8-2-14-50(56)51-15-3-9-21-57(51)63)34-46(32-41)66-48-36-45(65-60-24-12-6-18-54(60)55-19-7-13-25-61(55)65)37-49(38-48)67-47-33-42(62)31-44(35-47)64-58-22-10-4-16-52(58)53-17-5-11-23-59(53)64;1-2-4-6-5-3-1;/h2-31,34-37H,1H3;1-5H;
InChIKeySRRDSFKQJYZEOQ-UHFFFAOYSA-N
XLogP14.66
TPSA36.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.81
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
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
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
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 129289172
3,7-dimethyl-10-(9-methylcarbazol-3-yl)phenoxazine
CID 158231625

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3[Sn]3(c5ccccc5)c5c(cc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)cc2c53)O4)cc1.
What is the InChIKey of 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?
The InChIKey is SRRDSFKQJYZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N4O2.C6H5.Sn/c1-39-26-28-40(29-27-39)62-41-30-43(63-56-20-8-2-14-50(56)51-15-3-9-21-57(51)63)34-46(32-41)66-48-36-45(65-60-24-12-6-18-54(60)55-19-7-13-25-61(55)65)37-49(38-48)67-47-33-42(62)31-44(35-47)64-58-22-10-4-16-52(58)53-17-5-11-23-59(53)64;1-2-4-6-5-3-1;/h2-31,34-37H,1H3;1-5H;.
What are the key properties of 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?
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 has a molecular weight of 1053.81 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154595318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).