10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C128H111B2N5O5 — CID 163675378

IUPAC10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.CC(C)(C)c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.CC(C)(C)c1cc2c3ccccc3n3c4ccccc4c(c1)c23.CC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.CC(C)(C)n1c2ccc(C#N)cc2c2cc(C#N)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24.C22H17BO3.C22H19BO2.C22H19N.C18H15N3.C16H17N/c1-28(2,3)19-16-17-26-24-14-7-6-12-22(24)20-10-4-5-11-21(20)23-13-8-9-15-25(23)27(26)18-19;1-22(2,3)12-10-17-21-18(11-12)26-16-9-5-7-14-20(16)23(21)19-13(24-14)6-4-8-15(19)25-17;1-22(2,3)14-12-19-21-20(13-14)25-18-11-7-5-9-16(18)23(21)15-8-4-6-10-17(15)24-19;1-22(2,3)14-12-17-15-8-4-6-10-19(15)23-20-11-7-5-9-16(20)18(13-14)21(17)23;1-18(2,3)21-16-6-4-12(10-19)8-14(16)15-9-13(11-20)5-7-17(15)21;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-18H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;4-13H,1-3H3;4-9H,1-3H3;4-11H,1-3H3/b22-20-,23-21-,26-24-,27-25-;;;;;
InChIKeyJGFKQXRDVHCVNP-CVUNDVBASA-N
MW1820.95 g/mol
LogP30.47
Rot. Bonds

About 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 163675378) has the molecular formula C128H111B2N5O5 and a molecular weight of 1820.95 g/mol. Its IUPAC name is 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID163675378
Molecular FormulaC128H111B2N5O5
Molecular Weight1820.95 g/mol
Exact Mass1819.88
IUPAC Name10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.CC(C)(C)c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.CC(C)(C)c1cc2c3ccccc3n3c4ccccc4c(c1)c23.CC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.CC(C)(C)n1c2ccc(C#N)cc2c2cc(C#N)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24.C22H17BO3.C22H19BO2.C22H19N.C18H15N3.C16H17N/c1-28(2,3)19-16-17-26-24-14-7-6-12-22(24)20-10-4-5-11-21(20)23-13-8-9-15-25(23)27(26)18-19;1-22(2,3)12-10-17-21-18(11-12)26-16-9-5-7-14-20(16)23(21)19-13(24-14)6-4-8-15(19)25-17;1-22(2,3)14-12-19-21-20(13-14)25-18-11-7-5-9-16(18)23(21)15-8-4-6-10-17(15)24-19;1-22(2,3)14-12-17-15-8-4-6-10-19(15)23-20-11-7-5-9-16(20)18(13-14)21(17)23;1-18(2,3)21-16-6-4-12(10-19)8-14(16)15-9-13(11-20)5-7-17(15)21;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-18H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;4-13H,1-3H3;4-9H,1-3H3;4-11H,1-3H3/b22-20-,23-21-,26-24-,27-25-;;;;;
InChIKeyJGFKQXRDVHCVNP-CVUNDVBASA-N
XLogP30.47
TPSA108.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001820.95
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 163675378) is 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.CC(C)(C)c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.CC(C)(C)c1cc2c3ccccc3n3c4ccccc4c(c1)c23.CC(C)(C)c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.CC(C)(C)n1c2ccc(C#N)cc2c2cc(C#N)ccc21.CC(C)(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is JGFKQXRDVHCVNP-CVUNDVBASA-N. The full InChI is InChI=1S/C28H24.C22H17BO3.C22H19BO2.C22H19N.C18H15N3.C16H17N/c1-28(2,3)19-16-17-26-24-14-7-6-12-22(24)20-10-4-5-11-21(20)23-13-8-9-15-25(23)27(26)18-19;1-22(2,3)12-10-17-21-18(11-12)26-16-9-5-7-14-20(16)23(21)19-13(24-14)6-4-8-15(19)25-17;1-22(2,3)14-12-19-21-20(13-14)25-18-11-7-5-9-16(18)23(21)15-8-4-6-10-17(15)24-19;1-22(2,3)14-12-17-15-8-4-6-10-19(15)23-20-11-7-5-9-16(20)18(13-14)21(17)23;1-18(2,3)21-16-6-4-12(10-19)8-14(16)15-9-13(11-20)5-7-17(15)21;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-18H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;4-13H,1-3H3;4-9H,1-3H3;4-11H,1-3H3/b22-20-,23-21-,26-24-,27-25-;;;;;.
What are the key properties of 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1820.95 g/mol, XLogP of 30.47, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;9-tert-butylcarbazole;9-tert-butylcarbazole-3,6-dicarbonitrile;11-tert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-tert-butyltetraphenylene;5-tert-butyl-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 163675378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).