8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene

C30H19BN4 — CID 166502031

IUPAC8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene
SMILESc1ccc(N2c3ccccc3B3c4c(cccc42)-c2c3c3cncnc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H19BN4/c1-3-10-20(11-4-1)34-25-16-8-7-15-24(25)31-27-22(14-9-17-26(27)34)29-28(31)23-18-32-19-33-30(23)35(29)21-12-5-2-6-13-21/h1-19H
InChIKeyTZSXABNTLAVFFJ-UHFFFAOYSA-N
MW446.32 g/mol
LogP4.70
Rot. Bonds2

About 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene

8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene (PubChem CID 166502031) has the molecular formula C30H19BN4 and a molecular weight of 446.32 g/mol. Its IUPAC name is 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene.

Molecular Properties

Compound Name8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene
PubChem CID166502031
Molecular FormulaC30H19BN4
Molecular Weight446.32 g/mol
Exact Mass446.17
IUPAC Name8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene
SMILESc1ccc(N2c3ccccc3B3c4c(cccc42)-c2c3c3cncnc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H19BN4/c1-3-10-20(11-4-1)34-25-16-8-7-15-24(25)31-27-22(14-9-17-26(27)34)29-28(31)23-18-32-19-33-30(23)35(29)21-12-5-2-6-13-21/h1-19H
InChIKeyTZSXABNTLAVFFJ-UHFFFAOYSA-N
XLogP4.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene 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

8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-phenyl-14-(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 160796704
5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 123463711
12,18,22,28-tetraphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123419959
8-tert-butyl-5,21-diphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
CID 165377773
triphenyl-(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-nonaen-8-yl)silane
CID 171767026
8,14-diphenyl-3,19-bis(9-phenylcarbazol-1-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317361
8,14-diphenyl-6-pyridin-2-yl-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 153317154
11-(9-phenylcarbazol-1-yl)-8,14-bis(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 164936300
7,13,26,32-tetraphenyl-7,13,26,32-tetraza-1,20-diboradecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene
CID 123385638
7,14,34-triphenyl-14,34-diaza-7,22-diboradecacyclo[18.15.2.122,29.05,36.06,15.08,13.016,37.021,35.023,28.033,38]octatriaconta-1,3,5(36),6(15),8,10,12,16,18,20(37),21(35),23,25,27,29(38),30,32-heptadecaene
CID 169075626
9,9-dimethyl-22-phenyl-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.03,8.011,30.012,17.021,29.023,28]triaconta-2(10),3,5,7,12,14,16,18(30),19,21(29),23,25,27-tridecaene;9,22-diphenyl-5,7,9,11,22-pentaza-1-boraoctacyclo[16.10.2.02,10.03,8.011,30.012,17.021,29.023,28]triaconta-2(10),3,5,7,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-9-oxa-6,11,22-triaza-1-boraoctacyclo[16.10.2.02,10.03,8.011,30.012,17.021,29.023,28]triaconta-2(10),3(8),4,6,12,14,16,18(30),19,21(29),23,25,27-tridecaene;22-phenyl-9-thia-11,22-diaza-1-boraoctacyclo[16.10.2.02,10.03,8.011,30.012,17.021,29.023,28]triaconta-2(10),3,5,7,12,14,16,18(30),19,21(29),23,25,27-tridecaene
CID 161047907

Frequently Asked Questions

What is the IUPAC name of 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene?
The IUPAC name of 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene (CID 166502031) is 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene.
What is the SMILES notation for 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene?
The canonical SMILES for 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene is c1ccc(N2c3ccccc3B3c4c(cccc42)-c2c3c3cncnc3n2-c2ccccc2)cc1.
What is the InChIKey of 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene?
The InChIKey is TZSXABNTLAVFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BN4/c1-3-10-20(11-4-1)34-25-16-8-7-15-24(25)31-27-22(14-9-17-26(27)34)29-28(31)23-18-32-19-33-30(23)35(29)21-12-5-2-6-13-21/h1-19H.
What are the key properties of 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene?
8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene has a molecular weight of 446.32 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-diphenyl-8,15,17,19-tetraza-1-borahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2,4,6,9,11,13(23),14(22),16,18,20-decaene is sourced from PubChem (CID 166502031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).