9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine

C37H34BNO2 — CID 71007072

IUPAC9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
SMILESCC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)OC1(C)C
InChIInChI=1S/C37H34BNO2/c1-35(2)36(3,4)41-38(40-35)29-24-25-34-32(26-29)37(27-16-8-5-9-17-27,28-18-10-6-11-19-28)31-22-14-15-23-33(31)39(34)30-20-12-7-13-21-30/h5-26H,1-4H3
InChIKeyKKUVVWYXPZLMFZ-UHFFFAOYSA-N
MW535.50 g/mol
LogP8.15
Rot. Bonds4

About 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine

9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine (PubChem CID 71007072) has the molecular formula C37H34BNO2 and a molecular weight of 535.50 g/mol. Its IUPAC name is 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine.

Molecular Properties

Compound Name9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
PubChem CID71007072
Molecular FormulaC37H34BNO2
Molecular Weight535.50 g/mol
Exact Mass535.27
IUPAC Name9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
SMILESCC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)OC1(C)C
InChIInChI=1S/C37H34BNO2/c1-35(2)36(3,4)41-38(40-35)29-24-25-34-32(26-29)37(27-16-8-5-9-17-27,28-18-10-6-11-19-28)31-22-14-15-23-33(31)39(34)30-20-12-7-13-21-30/h5-26H,1-4H3
InChIKeyKKUVVWYXPZLMFZ-UHFFFAOYSA-N
XLogP8.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.50
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007069
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 156897210
10-phenyl-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 142293560
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
9,9-dimethyl-10-phenyl-N,N-bis(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-2-amine
CID 123572425
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
4-[9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]pyridine
CID 142384799
14,14-dimethyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951191
10-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenothiazine
CID 149398395
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164817103
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981

Frequently Asked Questions

What is the IUPAC name of 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine?
The IUPAC name of 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine (CID 71007072) is 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine.
What is the SMILES notation for 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine?
The canonical SMILES for 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine is CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)OC1(C)C.
What is the InChIKey of 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine?
The InChIKey is KKUVVWYXPZLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34BNO2/c1-35(2)36(3,4)41-38(40-35)29-24-25-34-32(26-29)37(27-16-8-5-9-17-27,28-18-10-6-11-19-28)31-22-14-15-23-33(31)39(34)30-20-12-7-13-21-30/h5-26H,1-4H3.
What are the key properties of 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine?
9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine has a molecular weight of 535.50 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine is sourced from PubChem (CID 71007072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).