14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene

C46H26BN5 — CID 162427631

IUPAC14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene
SMILESc1ccc(-c2nc3c4c(cccc4n2)B2c4c-3cc(-n3c5ccccc5c5ccccc53)cc4-n3c4ccccc4n4c5ccccc5c2c34)cc1
InChIInChI=1S/C46H26BN5/c1-2-13-27(14-3-1)45-48-34-19-12-18-33-41(34)44(49-45)32-25-28(50-35-20-7-4-15-29(35)30-16-5-8-21-36(30)50)26-40-42(32)47(33)43-31-17-6-9-22-37(31)51-38-23-10-11-24-39(38)52(40)46(43)51/h1-26H
InChIKeyAUMKQPIEMZGGKR-UHFFFAOYSA-N
MW659.56 g/mol
LogP8.55
Rot. Bonds2

About 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene

14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene (PubChem CID 162427631) has the molecular formula C46H26BN5 and a molecular weight of 659.56 g/mol. Its IUPAC name is 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene.

Molecular Properties

Compound Name14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene
PubChem CID162427631
Molecular FormulaC46H26BN5
Molecular Weight659.56 g/mol
Exact Mass659.23
IUPAC Name14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene
SMILESc1ccc(-c2nc3c4c(cccc4n2)B2c4c-3cc(-n3c5ccccc5c5ccccc53)cc4-n3c4ccccc4n4c5ccccc5c2c34)cc1
InChIInChI=1S/C46H26BN5/c1-2-13-27(14-3-1)45-48-34-19-12-18-33-41(34)44(49-45)32-25-28(50-35-20-7-4-15-29(35)30-16-5-8-21-36(30)50)26-40-42(32)47(33)43-31-17-6-9-22-37(31)51-38-23-10-11-24-39(38)52(40)46(43)51/h1-26H
InChIKeyAUMKQPIEMZGGKR-UHFFFAOYSA-N
XLogP8.55
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.56
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene with MolForge

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Related Compounds

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CID 122434535
3-(9-phenylcarbazol-3-yl)-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434517
9-[2,4-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401483
3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325819
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
9,23-diphenyl-16-(4-phenylquinazolin-2-yl)-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7(12),8,10,14,16,18(31),20(25),21,23,26,28,30(32)-pentadecaene
CID 169047757
1,10,17-triaza-25,41-diboratridecacyclo[22.19.1.125,32.02,10.03,41.04,9.011,16.017,44.018,23.026,31.034,42.035,40.043,45]pentatetraconta-2,4,6,8,11,13,15,18,20,22,24(44),26,28,30,32(45),33,35,37,39,42-icosaene
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3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
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3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325680
28-carbazol-9-yl-25,31-diaza-1-boratridecacyclo[28.24.1.12,6.131,50.07,12.013,18.019,24.026,55.032,37.038,43.044,49.025,57.054,56]heptapentaconta-2(57),3,5,7,9,11,13,15,17,19,21,23,26,28,30(55),32,34,36,38,40,42,44,46,48,50,52,54(56)-heptacosaene
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9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250

Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene?
The IUPAC name of 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene (CID 162427631) is 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene.
What is the SMILES notation for 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene?
The canonical SMILES for 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene is c1ccc(-c2nc3c4c(cccc4n2)B2c4c-3cc(-n3c5ccccc5c5ccccc53)cc4-n3c4ccccc4n4c5ccccc5c2c34)cc1.
What is the InChIKey of 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene?
The InChIKey is AUMKQPIEMZGGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26BN5/c1-2-13-27(14-3-1)45-48-34-19-12-18-33-41(34)44(49-45)32-25-28(50-35-20-7-4-15-29(35)30-16-5-8-21-36(30)50)26-40-42(32)47(33)43-31-17-6-9-22-37(31)51-38-23-10-11-24-39(38)52(40)46(43)51/h1-26H.
What are the key properties of 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene?
14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene has a molecular weight of 659.56 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-carbazol-9-yl-9-phenyl-8,10,17,24-tetraza-2-boranonacyclo[15.13.1.12,12.13,7.018,23.024,31.025,30.011,33.016,32]tritriaconta-1(31),3(33),4,6,8,10,12(32),13,15,18,20,22,25,27,29-pentadecaene is sourced from PubChem (CID 162427631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).