15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene

C39H23NO — CID 137294903

IUPAC15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1oc1ccccc13)-c1c-2ccc2ncccc12
InChIInChI=1S/C39H23NO/c1-2-12-26-24(10-1)25-11-3-4-14-28(25)37-29(32-17-8-16-31-27-13-5-6-20-36(27)41-39(31)32)15-7-18-34(37)38-30(26)21-22-35-33(38)19-9-23-40-35/h1-23H/b25-24-,30-26-,37-28-,38-34+
InChIKeyCMDYBJAVRPUGII-VPKBJWEKSA-N
MW521.62 g/mol
LogP10.78
Rot. Bonds1

About 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene

15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene (PubChem CID 137294903) has the molecular formula C39H23NO and a molecular weight of 521.62 g/mol. Its IUPAC name is 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene.

Molecular Properties

Compound Name15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
PubChem CID137294903
Molecular FormulaC39H23NO
Molecular Weight521.62 g/mol
Exact Mass521.18
IUPAC Name15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1oc1ccccc13)-c1c-2ccc2ncccc12
InChIInChI=1S/C39H23NO/c1-2-12-26-24(10-1)25-11-3-4-14-28(25)37-29(32-17-8-16-31-27-13-5-6-20-36(27)41-39(31)32)15-7-18-34(37)38-30(26)21-22-35-33(38)19-9-23-40-35/h1-23H/b25-24-,30-26-,37-28-,38-34+
InChIKeyCMDYBJAVRPUGII-VPKBJWEKSA-N
XLogP10.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene with MolForge

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Related Compounds

15-dibenzofuran-4-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 134428755
18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294870
16-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294916
3-dibenzothiophen-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
CID 134428664
5-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;6-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;9-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;10-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;11-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 159439237
2-dibenzofuran-4-ylpyridine
CID 59500175
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425
6-(4-dibenzofuran-4-ylphenyl)-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163619656
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
2-dibenzofuran-4-yl-1H-imidazole
CID 123662099
22-(4-dibenzofuran-4-ylnaphthalen-1-yl)-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129303493

Frequently Asked Questions

What is the IUPAC name of 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The IUPAC name of 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene (CID 137294903) is 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene.
What is the SMILES notation for 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The canonical SMILES for 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene is c1ccc2c(c1)-c1ccccc1-c1c(cccc1-c1cccc3c1oc1ccccc13)-c1c-2ccc2ncccc12.
What is the InChIKey of 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
The InChIKey is CMDYBJAVRPUGII-VPKBJWEKSA-N. The full InChI is InChI=1S/C39H23NO/c1-2-12-26-24(10-1)25-11-3-4-14-28(25)37-29(32-17-8-16-31-27-13-5-6-20-36(27)41-39(31)32)15-7-18-34(37)38-30(26)21-22-35-33(38)19-9-23-40-35/h1-23H/b25-24-,30-26-,37-28-,38-34+.
What are the key properties of 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene?
15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene has a molecular weight of 521.62 g/mol, XLogP of 10.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzofuran-4-yl-25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene is sourced from PubChem (CID 137294903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).