[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

C39H40BN — CID 177242756

IUPAC[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccccc2N2c3ccccc3C(C)(C)c3ccccc32)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C39H40BN/c1-25-21-27(3)37(28(4)22-25)40(38-29(5)23-26(2)24-30(38)6)33-17-11-14-20-36(33)41-34-18-12-9-15-31(34)39(7,8)32-16-10-13-19-35(32)41/h9-24H,1-8H3
InChIKeyRTAVXGPXSWREDL-UHFFFAOYSA-N
MW533.57 g/mol
LogP8.16
Rot. Bonds4

About [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane

[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 177242756) has the molecular formula C39H40BN and a molecular weight of 533.57 g/mol. Its IUPAC name is [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID177242756
Molecular FormulaC39H40BN
Molecular Weight533.57 g/mol
Exact Mass533.33
IUPAC Name[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccccc2N2c3ccccc3C(C)(C)c3ccccc32)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C39H40BN/c1-25-21-27(3)37(28(4)22-25)40(38-29(5)23-26(2)24-30(38)6)33-17-11-14-20-36(33)41-34-18-12-9-15-31(34)39(7,8)32-16-10-13-19-35(32)41/h9-24H,1-8H3
InChIKeyRTAVXGPXSWREDL-UHFFFAOYSA-N
XLogP8.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.57
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
12,12,28,28-tetramethyl-18,22-bis(2,4,6-trimethylphenyl)-1,5-diaza-18,22-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene
CID 155605463
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
[10-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]boranylanthracen-9-yl]-bis[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]borane
CID 102241957
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
10-[20-(9,9-dimethylacridin-10-yl)-12,12-dimethyl-12-silapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-9,9-dimethylacridine
CID 145010399
[12-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-(2,6-dimethylphenyl)-(2,4,6-trimethylphenyl)borane
CID 123727041
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
CID 119078214
CID 119078214
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276

Frequently Asked Questions

What is the IUPAC name of [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 177242756) is [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccccc2N2c3ccccc3C(C)(C)c3ccccc32)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is RTAVXGPXSWREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40BN/c1-25-21-27(3)37(28(4)22-25)40(38-29(5)23-26(2)24-30(38)6)33-17-11-14-20-36(33)41-34-18-12-9-15-31(34)39(7,8)32-16-10-13-19-35(32)41/h9-24H,1-8H3.
What are the key properties of [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane?
[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 533.57 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 177242756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).