15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene

C46H26BNO2 — CID 174007909

IUPAC15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
SMILESc1ccc2c(c1)B1c3cc4oc5ccccc5c4cc3N(c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)cc-2c31
InChIInChI=1S/C46H26BNO2/c1-2-12-30-27(10-1)11-9-16-31(30)28-22-37-32-13-3-6-17-38(32)47-39-26-45-36(34-15-5-8-19-43(34)50-45)25-40(39)48(41(23-28)46(37)47)29-20-21-44-35(24-29)33-14-4-7-18-42(33)49-44/h1-26H
InChIKeyDJTMPKHXUSVKJL-UHFFFAOYSA-N
MW635.53 g/mol
LogP10.59
Rot. Bonds2

About 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene

15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene (PubChem CID 174007909) has the molecular formula C46H26BNO2 and a molecular weight of 635.53 g/mol. Its IUPAC name is 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

Compound Name15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
PubChem CID174007909
Molecular FormulaC46H26BNO2
Molecular Weight635.53 g/mol
Exact Mass635.21
IUPAC Name15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
SMILESc1ccc2c(c1)B1c3cc4oc5ccccc5c4cc3N(c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)cc-2c31
InChIInChI=1S/C46H26BNO2/c1-2-12-30-27(10-1)11-9-16-31(30)28-22-37-32-13-3-6-17-38(32)47-39-26-45-36(34-15-5-8-19-43(34)50-45)25-40(39)48(41(23-28)46(37)47)29-20-21-44-35(24-29)33-14-4-7-18-42(33)49-44/h1-26H
InChIKeyDJTMPKHXUSVKJL-UHFFFAOYSA-N
XLogP10.59
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.53
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-dibenzofuran-2-yl-15-dibenzothiophen-2-yl-5-thia-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
CID 174007934
15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine
CID 148516324
20-dibenzofuran-3-yl-17-dibenzofuran-4-yl-11,24-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.04,12.05,10.015,34.021,33.023,31.025,30]tetratriaconta-2,4(12),5,7,9,13,15(34),16,18,21,23(31),25,27,29,32-pentadecaene
CID 174007963
18-phenyl-15,21-bis(2-phenylphenyl)-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 176828500
14-dibenzofuran-1-yl-17-naphthalen-2-yl-17-aza-1-boraheptacyclo[14.11.1.02,11.04,9.012,28.018,27.020,25]octacosa-2,4,6,8,10,12(28),13,15,18,20,22,24,26-tridecaene
CID 174008620
15,21-bis[2,6-bis(3-phenylphenyl)phenyl]-18-phenyl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaene
CID 168831494
10-dibenzofuran-2-yl-4,17-diphenyl-13-(4-phenylphenyl)-13-aza-1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 174008010
8-dibenzofuran-2-yl-14-(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153158219
35-[2,6-bis(4-phenylphenyl)phenyl]-38-naphthalen-1-yl-17-phenyl-25-oxa-2,17,35-triaza-21-boraundecacyclo[19.18.1.12,9.03,8.010,18.011,16.022,34.024,32.026,31.036,40.020,41]hentetraconta-1(40),3,5,7,9(41),10(18),11,13,15,19,22,24(32),26,28,30,33,36,38-octadecaene
CID 176812066
11-dibenzofuran-2-yl-4,18-bis(1-naphthalen-1-ylnaphthalen-2-yl)-8,14-bis[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]-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-nonaene
CID 166011776
15-dibenzofuran-4-yl-12-naphthalen-1-yl-12-aza-1-borahexacyclo[11.10.1.02,11.05,10.017,24.018,23]tetracosa-2(11),3,5,7,9,13,15,17(24),18,20,22-undecaene
CID 174007962
19-dibenzofuran-2-yl-16,22-diphenyl-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2,4(13),5,7,9,11,14,17,19,21(37),23,25(34),26,28,30,32,35-heptadecaene
CID 170670314

Frequently Asked Questions

What is the IUPAC name of 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene?
The IUPAC name of 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene (CID 174007909) is 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene.
What is the SMILES notation for 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene?
The canonical SMILES for 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene is c1ccc2c(c1)B1c3cc4oc5ccccc5c4cc3N(c3ccc4oc5ccccc5c4c3)c3cc(-c4cccc5ccccc45)cc-2c31.
What is the InChIKey of 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene?
The InChIKey is DJTMPKHXUSVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26BNO2/c1-2-12-30-27(10-1)11-9-16-31(30)28-22-37-32-13-3-6-17-38(32)47-39-26-45-36(34-15-5-8-19-43(34)50-45)25-40(39)48(41(23-28)46(37)47)29-20-21-44-35(24-29)33-14-4-7-18-42(33)49-44/h1-26H.
What are the key properties of 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene?
15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene has a molecular weight of 635.53 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 174007909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).