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

C48H28BNO — CID 174008620

IUPAC14-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
SMILESc1ccc2cc(N3c4cc5ccccc5cc4B4c5cc6ccccc6cc5-c5cc(-c6cccc7oc8ccccc8c67)cc3c54)ccc2c1
InChIInChI=1S/C48H28BNO/c1-2-11-30-22-36(21-20-29(30)10-1)50-43-27-34-15-6-5-14-33(34)26-42(43)49-41-25-32-13-4-3-12-31(32)23-39(41)40-24-35(28-44(50)48(40)49)37-17-9-19-46-47(37)38-16-7-8-18-45(38)51-46/h1-28H
InChIKeyHMOASKBGGGLAHE-UHFFFAOYSA-N
MW645.57 g/mol
LogP10.99
Rot. Bonds2

About 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

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 (PubChem CID 174008620) has the molecular formula C48H28BNO and a molecular weight of 645.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID174008620
Molecular FormulaC48H28BNO
Molecular Weight645.57 g/mol
Exact Mass645.23
IUPAC Name14-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
SMILESc1ccc2cc(N3c4cc5ccccc5cc4B4c5cc6ccccc6cc5-c5cc(-c6cccc7oc8ccccc8c67)cc3c54)ccc2c1
InChIInChI=1S/C48H28BNO/c1-2-11-30-22-36(21-20-29(30)10-1)50-43-27-34-15-6-5-14-33(34)26-42(43)49-41-25-32-13-4-3-12-31(32)23-39(41)40-24-35(28-44(50)48(40)49)37-17-9-19-46-47(37)38-16-7-8-18-45(38)51-46/h1-28H
InChIKeyHMOASKBGGGLAHE-UHFFFAOYSA-N
XLogP10.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.57
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

14-dibenzothiophen-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 174008293
10-dibenzofuran-1-yl-4,17-di(propan-2-yl)-13-(4-propan-2-ylphenyl)-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 174007885
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
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
4,18-di(dibenzofuran-1-yl)-11-dibenzofuran-2-yl-8,14-bis(4-dibenzofuran-1-ylphenyl)-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 166011822
15-dibenzofuran-1-yl-12,18-bis(3,5-ditert-butylphenyl)-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene
CID 170670028
4,11,18-tritert-butyl-8,14-bis(4-dibenzofuran-1-ylphenyl)-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 174292501
8-(3-dibenzofuran-1-ylphenyl)-14-phenyl-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 171740521
11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-phenylphenyl)-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 174089572
4,11,18-tritert-butyl-8-(4-tert-butylphenyl)-14-(3-dibenzofuran-1-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 170723975
4,18-di(dibenzofuran-1-yl)-11-phenyl-8,14-bis(2-phenylphenyl)-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 171399750
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(N3c4cc5ccccc5cc4B4c5cc6ccccc6cc5-c5cc(-c6cccc7oc8ccccc8c67)cc3c54)ccc2c1.
What is the InChIKey of 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?
The InChIKey is HMOASKBGGGLAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28BNO/c1-2-11-30-22-36(21-20-29(30)10-1)50-43-27-34-15-6-5-14-33(34)26-42(43)49-41-25-32-13-4-3-12-31(32)23-39(41)40-24-35(28-44(50)48(40)49)37-17-9-19-46-47(37)38-16-7-8-18-45(38)51-46/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 645.57 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174008620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).