9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C69H43B2N5O2 — CID 153490991

IUPAC9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccccc5B5c6ccccc6Oc6cc7c(cc65)B(c5ccccc5-n5c6ccccc6c6ccccc65)c5ccccc5O7)c34)n2)cc1
InChIInChI=1S/C69H43B2N5O2/c1-3-22-44(23-4-1)67-72-68(45-24-5-2-6-25-45)74-69(73-67)50-30-21-29-49-48-28-9-16-37-59(48)76(66(49)50)61-39-18-11-32-52(61)71-54-34-13-20-41-63(54)78-65-43-64-55(42-56(65)71)70(53-33-12-19-40-62(53)77-64)51-31-10-17-38-60(51)75-57-35-14-7-26-46(57)47-27-8-15-36-58(47)75/h1-43H
InChIKeyIRWRHBHOJFHVNX-UHFFFAOYSA-N
MW995.76 g/mol
LogP12.31
Rot. Bonds7

About 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 153490991) has the molecular formula C69H43B2N5O2 and a molecular weight of 995.76 g/mol. Its IUPAC name is 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID153490991
Molecular FormulaC69H43B2N5O2
Molecular Weight995.76 g/mol
Exact Mass995.36
IUPAC Name9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccccc5B5c6ccccc6Oc6cc7c(cc65)B(c5ccccc5-n5c6ccccc6c6ccccc65)c5ccccc5O7)c34)n2)cc1
InChIInChI=1S/C69H43B2N5O2/c1-3-22-44(23-4-1)67-72-68(45-24-5-2-6-25-45)74-69(73-67)50-30-21-29-49-48-28-9-16-37-59(48)76(66(49)50)61-39-18-11-32-52(61)71-54-34-13-20-41-63(54)78-65-43-64-55(42-56(65)71)70(53-33-12-19-40-62(53)77-64)51-31-10-17-38-60(51)75-57-35-14-7-26-46(57)47-27-8-15-36-58(47)75/h1-43H
InChIKeyIRWRHBHOJFHVNX-UHFFFAOYSA-N
XLogP12.31
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.76
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole 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

boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole
CID 177090769
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 171591687
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232
9-[4-carbazol-9-yl-6-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 159246036
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979
N,N-diphenyl-34,40-dioxa-12,30-diaza-1,5-diboratridecacyclo[33.11.1.119,23.02,33.04,31.05,21.06,11.012,20.013,18.022,30.024,29.039,47.041,46]octatetraconta-2(33),3,6,8,10,13,15,17,19(48),20,22,24,26,28,31,35,37,39(47),41,43,45-henicosaen-37-amine
CID 174000294
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[5-carbazol-9-yl-2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 135131262

Frequently Asked Questions

What is the IUPAC name of 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 153490991) is 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccccc5n(-c5ccccc5B5c6ccccc6Oc6cc7c(cc65)B(c5ccccc5-n5c6ccccc6c6ccccc65)c5ccccc5O7)c34)n2)cc1.
What is the InChIKey of 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is IRWRHBHOJFHVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43B2N5O2/c1-3-22-44(23-4-1)67-72-68(45-24-5-2-6-25-45)74-69(73-67)50-30-21-29-49-48-28-9-16-37-59(48)76(66(49)50)61-39-18-11-32-52(61)71-54-34-13-20-41-63(54)78-65-43-64-55(42-56(65)71)70(53-33-12-19-40-62(53)77-64)51-31-10-17-38-60(51)75-57-35-14-7-26-46(57)47-27-8-15-36-58(47)75/h1-43H.
What are the key properties of 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 995.76 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[15-(2-carbazol-9-ylphenyl)-4,22-dioxa-11,15-diborapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaen-11-yl]phenyl]-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 153490991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).