9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole

C40H33BN2O2 — CID 168807730

IUPAC9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2c2ccccc2n3-c2cccc3c4ccccc4n(-c4cccc5ccccc45)c23)OC1(C)C
InChIInChI=1S/C40H33BN2O2/c1-39(2)40(3,4)45-41(44-39)31-20-13-24-35-37(31)30-18-8-10-22-34(30)42(35)36-25-12-19-29-28-17-7-9-21-33(28)43(38(29)36)32-23-11-15-26-14-5-6-16-27(26)32/h5-25H,1-4H3
InChIKeyRBJZRMWVIGZIBR-UHFFFAOYSA-N
MW584.53 g/mol
LogP9.33
Rot. Bonds3

About 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole

9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole (PubChem CID 168807730) has the molecular formula C40H33BN2O2 and a molecular weight of 584.53 g/mol. Its IUPAC name is 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole
PubChem CID168807730
Molecular FormulaC40H33BN2O2
Molecular Weight584.53 g/mol
Exact Mass584.26
IUPAC Name9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2c2ccccc2n3-c2cccc3c4ccccc4n(-c4cccc5ccccc45)c23)OC1(C)C
InChIInChI=1S/C40H33BN2O2/c1-39(2)40(3,4)45-41(44-39)31-20-13-24-35-37(31)30-18-8-10-22-34(30)42(35)36-25-12-19-29-28-17-7-9-21-33(28)43(38(29)36)32-23-11-15-26-14-5-6-16-27(26)32/h5-25H,1-4H3
InChIKeyRBJZRMWVIGZIBR-UHFFFAOYSA-N
XLogP9.33
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.53
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324
4,4,5,5-tetramethyl-2-phenanthren-4-yl-1,3,2-dioxaborolane
CID 133058867
5,12-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-c]carbazole
CID 145320440
9-(3-phenylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 141377786
1-chloro-9-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 168807655
9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
CID 156803722
11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
9,19-dinaphthalen-1-yl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 135163071

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole?
The IUPAC name of 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole (CID 168807730) is 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole is CC1(C)OB(c2cccc3c2c2ccccc2n3-c2cccc3c4ccccc4n(-c4cccc5ccccc45)c23)OC1(C)C.
What is the InChIKey of 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole?
The InChIKey is RBJZRMWVIGZIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33BN2O2/c1-39(2)40(3,4)45-41(44-39)31-20-13-24-35-37(31)30-18-8-10-22-34(30)42(35)36-25-12-19-29-28-17-7-9-21-33(28)43(38(29)36)32-23-11-15-26-14-5-6-16-27(26)32/h5-25H,1-4H3.
What are the key properties of 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole?
9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole has a molecular weight of 584.53 g/mol, XLogP of 9.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]carbazole is sourced from PubChem (CID 168807730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).