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

C44H26BNO — CID 174007962

IUPAC15-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
SMILESc1ccc2c(c1)B1c3ccc4ccccc4c3N(c3cccc4ccccc34)c3cc(-c4cccc5c4oc4ccccc45)cc-2c31
InChIInChI=1S/C44H26BNO/c1-3-14-30-27(11-1)13-9-21-39(30)46-40-26-29(32-18-10-19-35-34-17-6-8-22-41(34)47-44(32)35)25-36-33-16-5-7-20-37(33)45(42(36)40)38-24-23-28-12-2-4-15-31(28)43(38)46/h1-26H
InChIKeyGDQLKIPHOLLBDG-UHFFFAOYSA-N
MW595.51 g/mol
LogP9.84
Rot. Bonds2

About 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

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 (PubChem CID 174007962) has the molecular formula C44H26BNO and a molecular weight of 595.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID174007962
Molecular FormulaC44H26BNO
Molecular Weight595.51 g/mol
Exact Mass595.21
IUPAC Name15-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
SMILESc1ccc2c(c1)B1c3ccc4ccccc4c3N(c3cccc4ccccc34)c3cc(-c4cccc5c4oc4ccccc45)cc-2c31
InChIInChI=1S/C44H26BNO/c1-3-14-30-27(11-1)13-9-21-39(30)46-40-26-29(32-18-10-19-35-34-17-6-8-22-41(34)47-44(32)35)25-36-33-16-5-7-20-37(33)45(42(36)40)38-24-23-28-12-2-4-15-31(28)43(38)46/h1-26H
InChIKeyGDQLKIPHOLLBDG-UHFFFAOYSA-N
XLogP9.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.51
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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

11-dibenzofuran-4-yl-8,14-diphenyl-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 168727770
12-naphthalen-1-yl-N-phenyl-N-(3-phenylphenyl)-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-undecaen-15-amine
CID 174008328
11-(1-benzothiophen-3-yl)-14-dibenzofuran-4-yl-3-thia-11-aza-1-borahexacyclo[10.10.1.02,10.04,9.016,23.017,22]tricosa-2(10),4,6,8,12,14,16(23),17,19,21-decaene
CID 174007967
8,14-bis(4-dibenzofuran-4-yl-2,6-diphenylphenyl)-4,18-diphenyl-11-(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 171445837
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
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
17-dibenzofuran-2-yl-20-dibenzofuran-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene
CID 174007937
11-dibenzofuran-4-yl-4,18-diphenyl-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 164941566
11-butyl-4-dibenzofuran-4-yl-8,14-bis(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 171736858
5,17-diphenyl-11-(4-phenyldibenzofuran-2-yl)-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 169283439
20-dibenzofuran-4-yl-17-dibenzothiophen-4-yl-12,23-dioxa-20-aza-1-boranonacyclo[17.14.1.02,14.05,13.06,11.015,34.021,33.022,30.024,29]tetratriaconta-2(14),3,5(13),6,8,10,15(34),16,18,21(33),22(30),24,26,28,31-pentadecaene
CID 174008458
11-dibenzofuran-4-yl-8,14-bis(3,5-ditert-butylphenyl)-5,17-diphenyl-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 164941392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)B1c3ccc4ccccc4c3N(c3cccc4ccccc34)c3cc(-c4cccc5c4oc4ccccc45)cc-2c31.
What is the InChIKey of 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?
The InChIKey is GDQLKIPHOLLBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26BNO/c1-3-14-30-27(11-1)13-9-21-39(30)46-40-26-29(32-18-10-19-35-34-17-6-8-22-41(34)47-44(32)35)25-36-33-16-5-7-20-37(33)45(42(36)40)38-24-23-28-12-2-4-15-31(28)43(38)46/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 595.51 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174007962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).