5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene

C54H34BN3O — CID 177103695

IUPAC5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene
SMILESc1ccc(N2B3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc(c43)-c3ccccc32)cc1
InChIInChI=1S/C54H34BN3O/c1-2-16-36(17-3-1)58-51-29-15-9-23-43(51)44-32-35(38-18-4-10-24-46(38)57-49-27-13-7-21-41(49)42-22-8-14-28-50(42)57)33-53-54(44)55(58)45-31-30-37(34-52(45)59-53)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h1-34H
InChIKeyBHNPBUCKZMGCLY-UHFFFAOYSA-N
MW751.70 g/mol
LogP12.58
Rot. Bonds4

About 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene

5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene (PubChem CID 177103695) has the molecular formula C54H34BN3O and a molecular weight of 751.70 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene.

Molecular Properties

Compound Name5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene
PubChem CID177103695
Molecular FormulaC54H34BN3O
Molecular Weight751.70 g/mol
Exact Mass751.28
IUPAC Name5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene
SMILESc1ccc(N2B3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc(c43)-c3ccccc32)cc1
InChIInChI=1S/C54H34BN3O/c1-2-16-36(17-3-1)58-51-29-15-9-23-43(51)44-32-35(38-18-4-10-24-46(38)57-49-27-13-7-21-41(49)42-22-8-14-28-50(42)57)33-53-54(44)55(58)45-31-30-37(34-52(45)59-53)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h1-34H
InChIKeyBHNPBUCKZMGCLY-UHFFFAOYSA-N
XLogP12.58
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.70
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene with MolForge

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Related Compounds

[3-[5-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]-triphenylsilane
CID 177103627
[2-[11-(3-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl]phenyl]-triphenylsilane
CID 177105165
11-(2-carbazol-9-ylphenyl)-17-dibenzofuran-3-yl-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
CID 177103943
9-(17-carbazol-9-yl-11-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl)carbazole
CID 163701316
11-carbazol-9-yl-20-phenyl-17-(3-phenylphenyl)-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene
CID 177105011
9-[2-[5-(4-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-11-yl]phenyl]carbazole
CID 177104508
9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 157254105
9-[3-(11-phenyl-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaen-5-yl)phenyl]carbazole
CID 177104152
3-carbazol-9-yl-9-[6-(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-nonaen-11-yl)dibenzofuran-4-yl]carbazole
CID 156678273
18-(4-carbazol-9-ylphenyl)-11,25-diphenyl-15,21-dioxa-11,25-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16,18,20(35),22,24(32),26,28,30,33-pentadecaene
CID 144879554
9-[2-[11-(2-carbazol-9-ylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-17-yl]phenyl]carbazole
CID 177104053
20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14,16,18-nonaene
CID 156761677

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene?
The IUPAC name of 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene (CID 177103695) is 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene.
What is the SMILES notation for 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene?
The canonical SMILES for 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene is c1ccc(N2B3c4ccc(-n5c6ccccc6c6ccccc65)cc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc(c43)-c3ccccc32)cc1.
What is the InChIKey of 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene?
The InChIKey is BHNPBUCKZMGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34BN3O/c1-2-16-36(17-3-1)58-51-29-15-9-23-43(51)44-32-35(38-18-4-10-24-46(38)57-49-27-13-7-21-41(49)42-22-8-14-28-50(42)57)33-53-54(44)55(58)45-31-30-37(34-52(45)59-53)56-47-25-11-5-19-39(47)40-20-6-12-26-48(40)56/h1-34H.
What are the key properties of 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene?
5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene has a molecular weight of 751.70 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-11-(2-carbazol-9-ylphenyl)-20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14,16,18-nonaene is sourced from PubChem (CID 177103695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).