21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene

C54H35N3O — CID 165066017

IUPAC21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
SMILESc1ccc2c(c1)Oc1ccccc1N(c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc1-c1ccccc1-2
InChIInChI=1S/C54H35N3O/c1-2-18-40-39(17-1)41-19-3-9-25-47(41)57(52-30-14-16-32-54(52)58-53-31-15-8-24-46(40)53)38-34-36(55-48-26-10-4-20-42(48)43-21-5-11-27-49(43)55)33-37(35-38)56-50-28-12-6-22-44(50)45-23-7-13-29-51(45)56/h1-35H
InChIKeyRYZIXKGUIQQQGG-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.79
Rot. Bonds3

About 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene

21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene (PubChem CID 165066017) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene.

Molecular Properties

Compound Name21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
PubChem CID165066017
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
SMILESc1ccc2c(c1)Oc1ccccc1N(c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc1-c1ccccc1-2
InChIInChI=1S/C54H35N3O/c1-2-18-40-39(17-1)41-19-3-9-25-47(41)57(52-30-14-16-32-54(52)58-53-31-15-8-24-46(40)53)38-34-36(55-48-26-10-4-20-42(48)43-21-5-11-27-49(43)55)33-37(35-38)56-50-28-12-6-22-44(50)45-23-7-13-29-51(45)56/h1-35H
InChIKeyRYZIXKGUIQQQGG-UHFFFAOYSA-N
XLogP14.79
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene with MolForge

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Related Compounds

10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
CID 155120100
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
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
28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
CID 177285260
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118216147
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10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795331
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-yl-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-nonaen-5-yl]phenoxazine
CID 170669479

Frequently Asked Questions

What is the IUPAC name of 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene?
The IUPAC name of 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene (CID 165066017) is 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene.
What is the SMILES notation for 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene?
The canonical SMILES for 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene is c1ccc2c(c1)Oc1ccccc1N(c1cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c1)c1ccccc1-c1ccccc1-2.
What is the InChIKey of 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene?
The InChIKey is RYZIXKGUIQQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-18-40-39(17-1)41-19-3-9-25-47(41)57(52-30-14-16-32-54(52)58-53-31-15-8-24-46(40)53)38-34-36(55-48-26-10-4-20-42(48)43-21-5-11-27-49(43)55)33-37(35-38)56-50-28-12-6-22-44(50)45-23-7-13-29-51(45)56/h1-35H.
What are the key properties of 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene?
21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene has a molecular weight of 741.89 g/mol, XLogP of 14.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene is sourced from PubChem (CID 165066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).