9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole

C48H30BNO2 — CID 177103633

IUPAC9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc3c4c(c2)-c2ccccc2OB4c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2O3)cc1
InChIInChI=1S/C48H30BNO2/c1-2-12-32(13-3-1)36-14-4-5-15-37(36)34-28-41-40-18-8-11-21-45(40)52-49-42-29-33(24-27-46(42)51-47(30-34)48(41)49)31-22-25-35(26-23-31)50-43-19-9-6-16-38(43)39-17-7-10-20-44(39)50/h1-30H
InChIKeyYTDHFVSKLIQAHT-UHFFFAOYSA-N
MW663.59 g/mol
LogP11.06
Rot. Bonds4

About 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole

9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole (PubChem CID 177103633) has the molecular formula C48H30BNO2 and a molecular weight of 663.59 g/mol. Its IUPAC name is 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole
PubChem CID177103633
Molecular FormulaC48H30BNO2
Molecular Weight663.59 g/mol
Exact Mass663.24
IUPAC Name9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc3c4c(c2)-c2ccccc2OB4c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2O3)cc1
InChIInChI=1S/C48H30BNO2/c1-2-12-32(13-3-1)36-14-4-5-15-37(36)34-28-41-40-18-8-11-21-45(40)52-49-42-29-33(24-27-46(42)51-47(30-34)48(41)49)31-22-25-35(26-23-31)50-43-19-9-6-16-38(43)39-17-7-10-20-44(39)50/h1-30H
InChIKeyYTDHFVSKLIQAHT-UHFFFAOYSA-N
XLogP11.06
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.59
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[11-(3-phenylphenyl)-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-4-yl]carbazole
CID 177104606
9-[2-[11-(3-phenylphenyl)-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-4-yl]phenyl]carbazole
CID 177104237
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-[3-[4-(3-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14(19),15,17-nonaen-16-yl]phenyl]carbazole
CID 177103961
9-[4-[11-(6-carbazol-9-yldibenzofuran-1-yl)-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-4-yl]phenyl]carbazole
CID 177105216
9-[3-[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 177104771
9-[3-[4-(3-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(19),15,17-nonaen-16-yl]phenyl]carbazole
CID 177104249
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-[4-(3-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]carbazole
CID 177104596
9-[2-[16-(3-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2(7),3,5,9,11,13(21),14(19),15,17-nonaen-4-yl]phenyl]carbazole
CID 177103621
9-[2-[17-(2-phenylphenyl)-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-11-yl]phenyl]carbazole
CID 177103802
9-(11-dibenzofuran-3-yl-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-4-yl)carbazole
CID 177105158

Frequently Asked Questions

What is the IUPAC name of 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole (CID 177103633) is 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole is c1ccc(-c2ccccc2-c2cc3c4c(c2)-c2ccccc2OB4c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2O3)cc1.
What is the InChIKey of 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole?
The InChIKey is YTDHFVSKLIQAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30BNO2/c1-2-12-32(13-3-1)36-14-4-5-15-37(36)34-28-41-40-18-8-11-21-45(40)52-49-42-29-33(24-27-46(42)51-47(30-34)48(41)49)31-22-25-35(26-23-31)50-43-19-9-6-16-38(43)39-17-7-10-20-44(39)50/h1-30H.
What are the key properties of 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole?
9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole has a molecular weight of 663.59 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[11-(2-phenylphenyl)-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-4-yl]phenyl]carbazole is sourced from PubChem (CID 177103633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).