17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene

C42H23NO — CID 134398485

IUPAC17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3c2c3ccccc3c3ccccc3c2n1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C42H23NO/c1-2-13-28-26(11-1)30-17-9-18-33-39(30)35(28)23-36-40(33)41-31-15-5-3-10-25(31)27-12-4-6-16-32(27)42(41)43(36)24-20-21-38-34(22-24)29-14-7-8-19-37(29)44-38/h1-23H
InChIKeyHPITVYLKLHTNHZ-UHFFFAOYSA-N
MW557.65 g/mol
LogP11.79
Rot. Bonds1

About 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene

17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene (PubChem CID 134398485) has the molecular formula C42H23NO and a molecular weight of 557.65 g/mol. Its IUPAC name is 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
PubChem CID134398485
Molecular FormulaC42H23NO
Molecular Weight557.65 g/mol
Exact Mass557.18
IUPAC Name17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)-c1cccc3c1c-2cc1c3c2c3ccccc3c3ccccc3c2n1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C42H23NO/c1-2-13-28-26(11-1)30-17-9-18-33-39(30)35(28)23-36-40(33)41-31-15-5-3-10-25(31)27-12-4-6-16-32(27)42(41)43(36)24-20-21-38-34(22-24)29-14-7-8-19-37(29)44-38/h1-23H
InChIKeyHPITVYLKLHTNHZ-UHFFFAOYSA-N
XLogP11.79
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

17-(4-fluorophenyl)-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398479
17-(3,5-diphenylphenyl)-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398475
12-(8-fluoranthen-3-yldibenzofuran-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118580736
17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene
CID 134398671
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369923
9-dibenzofuran-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501188
7-[4-(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 118301044
19-dibenzofuran-2-yl-9-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163206
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 170080122
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 146491123

Frequently Asked Questions

What is the IUPAC name of 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene?
The IUPAC name of 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene (CID 134398485) is 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene?
The canonical SMILES for 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene is c1ccc2c(c1)-c1cccc3c1c-2cc1c3c2c3ccccc3c3ccccc3c2n1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene?
The InChIKey is HPITVYLKLHTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO/c1-2-13-28-26(11-1)30-17-9-18-33-39(30)35(28)23-36-40(33)41-31-15-5-3-10-25(31)27-12-4-6-16-32(27)42(41)43(36)24-20-21-38-34(22-24)29-14-7-8-19-37(29)44-38/h1-23H.
What are the key properties of 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene?
17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene has a molecular weight of 557.65 g/mol, XLogP of 11.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-dibenzofuran-2-yl-17-azaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(31),2(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 134398485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).