(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid

C30H18BNO4 — CID 59147189

IUPAC(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1
InChIInChI=1S/C30H18BNO4/c33-31(34)17-9-11-25-21(15-17)29-27(35-25)13-14-28-30(29)22-16-18(10-12-26(22)36-28)32-23-7-3-1-5-19(23)20-6-2-4-8-24(20)32/h1-16,33-34H
InChIKeyJIPCINKARCDEGH-UHFFFAOYSA-N
MW467.29 g/mol
LogP6.26
Rot. Bonds2

About (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid

(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid (PubChem CID 59147189) has the molecular formula C30H18BNO4 and a molecular weight of 467.29 g/mol. Its IUPAC name is (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid.

Molecular Properties

Compound Name(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
PubChem CID59147189
Molecular FormulaC30H18BNO4
Molecular Weight467.29 g/mol
Exact Mass467.13
IUPAC Name(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid
SMILESOB(O)c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1
InChIInChI=1S/C30H18BNO4/c33-31(34)17-9-11-25-21(15-17)29-27(35-25)13-14-28-30(29)22-16-18(10-12-26(22)36-28)32-23-7-3-1-5-19(23)20-6-2-4-8-24(20)32/h1-16,33-34H
InChIKeyJIPCINKARCDEGH-UHFFFAOYSA-N
XLogP6.26
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.29
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8-carbazol-9-yldibenzofuran-2-yl)boronic acid
CID 89433899
[8-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)dibenzofuran-2-yl]boronic acid
CID 172624909
[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]boronic acid
CID 70661114
(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
CID 86730009
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium
CID 59147587
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147032
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
9-(16-carbazol-9-yl-11,12-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147144

Frequently Asked Questions

What is the IUPAC name of (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid?
The IUPAC name of (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid (CID 59147189) is (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid.
What is the SMILES notation for (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid?
The canonical SMILES for (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid is OB(O)c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1.
What is the InChIKey of (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid?
The InChIKey is JIPCINKARCDEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BNO4/c33-31(34)17-9-11-25-21(15-17)29-27(35-25)13-14-28-30(29)22-16-18(10-12-26(22)36-28)32-23-7-3-1-5-19(23)20-6-2-4-8-24(20)32/h1-16,33-34H.
What are the key properties of (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid?
(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid has a molecular weight of 467.29 g/mol, XLogP of 6.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)boronic acid is sourced from PubChem (CID 59147189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).