11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene

C48H29N3O — CID 177285210

IUPAC11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccccc43)ccc1n1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cc2c31
InChIInChI=1S/C48H29N3O/c1-7-19-40-32(13-1)33-14-2-8-20-41(33)49(40)30-25-26-45-47(29-30)52-46-24-12-6-18-37(46)39-28-31(27-38-36-17-5-11-23-44(36)51(45)48(38)39)50-42-21-9-3-15-34(42)35-16-4-10-22-43(35)50/h1-29H
InChIKeyQMPSHQXCJTZJKE-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.90
Rot. Bonds2

About 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene

11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene (PubChem CID 177285210) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene.

Molecular Properties

Compound Name11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene
PubChem CID177285210
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene
SMILESc1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccccc43)ccc1n1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cc2c31
InChIInChI=1S/C48H29N3O/c1-7-19-40-32(13-1)33-14-2-8-20-41(33)49(40)30-25-26-45-47(29-30)52-46-24-12-6-18-37(46)39-28-31(27-38-36-17-5-11-23-44(36)51(45)48(38)39)50-42-21-9-3-15-34(42)35-16-4-10-22-43(35)50/h1-29H
InChIKeyQMPSHQXCJTZJKE-UHFFFAOYSA-N
XLogP12.90
TPSA27.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene with MolForge

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Related Compounds

5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 122594983
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186402
10-dibenzofuran-3-yl-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene;11-dibenzofuran-3-yl-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene;23-dibenzofuran-3-yl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 163891075
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
4-dibenzofuran-2-yl-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330989
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434

Frequently Asked Questions

What is the IUPAC name of 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene?
The IUPAC name of 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene (CID 177285210) is 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene.
What is the SMILES notation for 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene?
The canonical SMILES for 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4ccccc43)ccc1n1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cc2c31.
What is the InChIKey of 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene?
The InChIKey is QMPSHQXCJTZJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-7-19-40-32(13-1)33-14-2-8-20-41(33)49(40)30-25-26-45-47(29-30)52-46-24-12-6-18-37(46)39-28-31(27-38-36-17-5-11-23-44(36)51(45)48(38)39)50-42-21-9-3-15-34(42)35-16-4-10-22-43(35)50/h1-29H.
What are the key properties of 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene?
11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene has a molecular weight of 663.78 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,24-di(carbazol-9-yl)-8-oxa-15-azahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaene is sourced from PubChem (CID 177285210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).