15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene

C52H37BN2 — CID 162424654

IUPAC15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene
SMILESCc1c(C)n2c3c(cccc13)B1c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc-2c31
InChIInChI=1S/C52H37BN2/c1-34-35(2)54-49-32-43(42-26-24-39(25-27-42)37-14-7-4-8-15-37)33-50-51(49)53(47-18-11-16-45(34)52(47)54)46-17-9-10-19-48(46)55(50)44-30-28-41(29-31-44)40-22-20-38(21-23-40)36-12-5-3-6-13-36/h3-33H,1-2H3
InChIKeyFCTKVVXWJAISQY-UHFFFAOYSA-N
MW700.69 g/mol
LogP11.53
Rot. Bonds5

About 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene

15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene (PubChem CID 162424654) has the molecular formula C52H37BN2 and a molecular weight of 700.69 g/mol. Its IUPAC name is 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene.

Molecular Properties

Compound Name15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene
PubChem CID162424654
Molecular FormulaC52H37BN2
Molecular Weight700.69 g/mol
Exact Mass700.30
IUPAC Name15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene
SMILESCc1c(C)n2c3c(cccc13)B1c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc-2c31
InChIInChI=1S/C52H37BN2/c1-34-35(2)54-49-32-43(42-26-24-39(25-27-42)37-14-7-4-8-15-37)33-50-51(49)53(47-18-11-16-45(34)52(47)54)46-17-9-10-19-48(46)55(50)44-30-28-41(29-31-44)40-22-20-38(21-23-40)36-12-5-3-6-13-36/h3-33H,1-2H3
InChIKeyFCTKVVXWJAISQY-UHFFFAOYSA-N
XLogP11.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.69
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene with MolForge

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Related Compounds

15-methyl-8,16-diphenyl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene
CID 155654607
5,21-diphenyl-24-(2-phenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9,11,13(27),15,17,19,22,24-dodecaene
CID 155618088
8,14-diphenyl-11-(3-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 123824531
11-(3,5-diphenylphenyl)-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 123616085
8,15,16-trimethyl-5-triphenylen-2-yl-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2(7),3,5,9,11,13(22),15,17,19,21(23)-decaene
CID 162424653
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
8-(4-phenylphenyl)-14-(3,4,5-triphenylphenyl)-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 167381271
4-(3,6-diphenylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 153317527
8,14-bis[4-(10-phenylanthracen-9-yl)phenyl]-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 164772343
11-(4-methoxyphenyl)-8-(4-methylphenyl)-14-phenyl-4-(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),15,17,19-nonaene
CID 156625066
7,11,26-triphenyl-18-(2,4,6-trimethylphenyl)-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23(28),24,26,30,32,34,37(48),38,40,42,44,46-henicosaene
CID 157149053
8-phenyl-14-(4-triphenylen-2-ylphenyl)-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 171740535

Frequently Asked Questions

What is the IUPAC name of 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene?
The IUPAC name of 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene (CID 162424654) is 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene.
What is the SMILES notation for 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene?
The canonical SMILES for 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene is Cc1c(C)n2c3c(cccc13)B1c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4ccc(-c5ccccc5)cc4)cc-2c31.
What is the InChIKey of 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene?
The InChIKey is FCTKVVXWJAISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37BN2/c1-34-35(2)54-49-32-43(42-26-24-39(25-27-42)37-14-7-4-8-15-37)33-50-51(49)53(47-18-11-16-45(34)52(47)54)46-17-9-10-19-48(46)55(50)44-30-28-41(29-31-44)40-22-20-38(21-23-40)36-12-5-3-6-13-36/h3-33H,1-2H3.
What are the key properties of 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene?
15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene has a molecular weight of 700.69 g/mol, XLogP of 11.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethyl-11-(4-phenylphenyl)-8-[4-(4-phenylphenyl)phenyl]-8,14-diaza-1-borahexacyclo[11.8.1.114,17.02,7.09,22.021,23]tricosa-2,4,6,9,11,13(22),15,17,19,21(23)-decaene is sourced from PubChem (CID 162424654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).