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

C168H108N4O4 — CID 165082856

IUPAC9-(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
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-2
InChIInChI=1S/4C42H27NO/c1-3-15-31-29(13-1)30-14-2-4-16-32(30)38-27-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)25-26-33(38)37-20-8-12-24-42(37)44-41-23-11-7-19-36(31)41;1-2-14-30-29(13-1)31-15-3-5-17-33(31)37-21-9-12-24-41(37)44-42-26-25-28(27-38(42)34-18-6-4-16-32(30)34)43-39-22-10-7-19-35(39)36-20-8-11-23-40(36)43;1-2-15-31-29(13-1)30-14-3-4-16-32(30)36-19-7-11-23-41(36)44-42-24-12-8-20-37(42)38-27-28(25-26-33(31)38)43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43;1-2-14-30-29(13-1)33-26-25-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)27-38(33)32-16-4-3-15-31(32)37-20-8-12-24-42(37)44-41-23-11-7-19-36(30)41/h4*1-27H
InChIKeyVKGICWDVGGCNNJ-UHFFFAOYSA-N
MW2246.74 g/mol
LogP46.23
Rot. Bonds4

About 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

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 (PubChem CID 165082856) has the molecular formula C168H108N4O4 and a molecular weight of 2246.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID165082856
Molecular FormulaC168H108N4O4
Molecular Weight2246.74 g/mol
Exact Mass2244.84
IUPAC Name9-(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
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-2
InChIInChI=1S/4C42H27NO/c1-3-15-31-29(13-1)30-14-2-4-16-32(30)38-27-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)25-26-33(38)37-20-8-12-24-42(37)44-41-23-11-7-19-36(31)41;1-2-14-30-29(13-1)31-15-3-5-17-33(31)37-21-9-12-24-41(37)44-42-26-25-28(27-38(42)34-18-6-4-16-32(30)34)43-39-22-10-7-19-35(39)36-20-8-11-23-40(36)43;1-2-15-31-29(13-1)30-14-3-4-16-32(30)36-19-7-11-23-41(36)44-42-24-12-8-20-37(42)38-27-28(25-26-33(31)38)43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43;1-2-14-30-29(13-1)33-26-25-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)27-38(33)32-16-4-3-15-31(32)37-20-8-12-24-42(37)44-41-23-11-7-19-36(30)41/h4*1-27H
InChIKeyVKGICWDVGGCNNJ-UHFFFAOYSA-N
XLogP46.23
TPSA56.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms176
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002246.74
LogP ≤ 546.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Oc1ccccc1-c1ccccc1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is VKGICWDVGGCNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H27NO/c1-3-15-31-29(13-1)30-14-2-4-16-32(30)38-27-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)25-26-33(38)37-20-8-12-24-42(37)44-41-23-11-7-19-36(31)41;1-2-14-30-29(13-1)31-15-3-5-17-33(31)37-21-9-12-24-41(37)44-42-26-25-28(27-38(42)34-18-6-4-16-32(30)34)43-39-22-10-7-19-35(39)36-20-8-11-23-40(36)43;1-2-15-31-29(13-1)30-14-3-4-16-32(30)36-19-7-11-23-41(36)44-42-24-12-8-20-37(42)38-27-28(25-26-33(31)38)43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43;1-2-14-30-29(13-1)33-26-25-28(43-39-21-9-5-17-34(39)35-18-6-10-22-40(35)43)27-38(33)32-16-4-3-15-31(32)37-20-8-12-24-42(37)44-41-23-11-7-19-36(30)41/h4*1-27H.
What are the key properties of 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?
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 has a molecular weight of 2246.74 g/mol, XLogP of 46.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165082856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).