3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole

C88H68BN3O — CID 140799129

IUPAC3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole
SMILESCC(C)c1cc(C(C)C)c(B2c3cc(C4c5ccccc5-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc32)c(C(C)C)c1
InChIInChI=1S/C88H68BN3O/c1-53(2)61-49-73(54(3)4)88(74(50-61)55(5)6)89-77-51-60(87-71-25-8-7-19-65(71)75-47-58(35-43-72(75)87)56-31-38-62(39-32-56)90-79-26-14-9-20-66(79)67-21-10-15-27-80(67)90)37-45-85(77)93-86-46-42-64(52-78(86)89)92-83-30-18-13-24-70(83)76-48-59(36-44-84(76)92)57-33-40-63(41-34-57)91-81-28-16-11-22-68(81)69-23-12-17-29-82(69)91/h7-55,87H,1-6H3
InChIKeyIPKWXKLNVRPBAO-UHFFFAOYSA-N
MW1194.34 g/mol
LogP21.46
Rot. Bonds10

About 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole

3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole (PubChem CID 140799129) has the molecular formula C88H68BN3O and a molecular weight of 1194.34 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole
PubChem CID140799129
Molecular FormulaC88H68BN3O
Molecular Weight1194.34 g/mol
Exact Mass1193.55
IUPAC Name3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole
SMILESCC(C)c1cc(C(C)C)c(B2c3cc(C4c5ccccc5-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc32)c(C(C)C)c1
InChIInChI=1S/C88H68BN3O/c1-53(2)61-49-73(54(3)4)88(74(50-61)55(5)6)89-77-51-60(87-71-25-8-7-19-65(71)75-47-58(35-43-72(75)87)56-31-38-62(39-32-56)90-79-26-14-9-20-66(79)67-21-10-15-27-80(67)90)37-45-85(77)93-86-46-42-64(52-78(86)89)92-83-30-18-13-24-70(83)76-48-59(36-44-84(76)92)57-33-40-63(41-34-57)91-81-28-16-11-22-68(81)69-23-12-17-29-82(69)91/h7-55,87H,1-6H3
InChIKeyIPKWXKLNVRPBAO-UHFFFAOYSA-N
XLogP21.46
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.34
LogP ≤ 521.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole with MolForge

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-[2-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]carbazole
CID 140728738
3-carbazol-9-yl-9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazole
CID 140728623
9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 140728726
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
9-[4-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]phenyl]carbazole
CID 140835311
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
5-phenyl-11-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]indolo[3,2-b]carbazole
CID 169073479
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole (CID 140799129) is 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole is CC(C)c1cc(C(C)C)c(B2c3cc(C4c5ccccc5-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)ccc3Oc3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc32)c(C(C)C)c1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole?
The InChIKey is IPKWXKLNVRPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H68BN3O/c1-53(2)61-49-73(54(3)4)88(74(50-61)55(5)6)89-77-51-60(87-71-25-8-7-19-65(71)75-47-58(35-43-72(75)87)56-31-38-62(39-32-56)90-79-26-14-9-20-66(79)67-21-10-15-27-80(67)90)37-45-85(77)93-86-46-42-64(52-78(86)89)92-83-30-18-13-24-70(83)76-48-59(36-44-84(76)92)57-33-40-63(41-34-57)91-81-28-16-11-22-68(81)69-23-12-17-29-82(69)91/h7-55,87H,1-6H3.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole?
3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole has a molecular weight of 1194.34 g/mol, XLogP of 21.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-9-[8-[3-(4-carbazol-9-ylphenyl)-9H-fluoren-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]carbazole is sourced from PubChem (CID 140799129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).